4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid 4-(4-(双(2-氯乙基)氨基)苯基)丁酸

CAS 305-03-3 MFCD00021783

化学结构图

305-03-3
SMILES: O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1

化学属性

Mol. FormulaC14H19Cl2NO2
Mol. Weight304
Melting Point65-70
Solubility<0.01 G/100 ML AT 22 ºC
TSCANo
Appearance 白色或淡黄色结晶粉末。熔点64-66℃，易溶于乙醚、乙醇、氯仿、丙酮，溶于稀碱液，难溶于水。

别名和识别编码

Chemical Name4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid
Synonym 3-[bis(2-chloroethyl)amino]benzenebutanoic acid 3-[bis(2-chloroethyl)amino]benzenebutanoicacid 4(p-bis(beta-chloroethyl)aminophenyl)butyricacid 4-(4-(bis-(2-chloro-ethyl)-amino)-phenyl)-butyric acid 4-(4-[Bis 4-(4-[Bis(2-chloroethyl)amino]phenyl)butanoic acid 4-(4-[Bis(2-chloroethyl)amino]phenyl)butyric acid 4-[Bis(2 4-(4-bis(2-chloroethyl)aminophenyl)butyric acid 4-(bis(2-chloroethyl)amino)benzene-butanoicaci 4-(p-(n,n-di-2-chloro 4-Di(2-chlorethyl)aminobenzolbuttersä 4-[p-Bis(β-chloroethyl)aminophenyl]butyric acid 4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid 4-[Bis(2-chloroethyl)amino]benzenebutanoic acid 4[p-Bis(β-chloroe Ambochlorin Amboclorin Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)- Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene- Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)- Cb l348 Chlorambucil Chloraminophene Chlorobutin Ecloril Elcoril Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna Leukeran Leukersan Leukoran Linfolizin Linfolysin Lympholysin NCI-C03485 NSC-3088 Phenylbuttersaeure-lost Phenylbutyric acid nitrogen mustard butanoic acid, 4-[3-[bis(2-chloroethyl)amino]phenyl]- butanoicacid,4-[3-[bis(2-chloroethyl)am chlorambucil (INN) chloroambucil p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid {} {} {} {} {Chemi {} {} {} {} {u γ-[p< γ-[p-Di(2-chloroethyl)
MDL NumberMFCD00021783
CAS Number305-03-3
PubChem Substance ID2708
Beilstein Registry Number999011
EC Number206-162-0
Merck Number2073
Chemical Name Translation4-(4-(双(2-氯乙基)氨基)苯基)丁酸
Reaxys-RN999011
Wiswesser Line NotationQV3R DN2G2G
LabNetwork Molecule IDLN01276428
InChIInChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
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分类

  • {SNA} Antitumor Agents, Apoptosis and Cell Cycle, Bioactive Small Molecules, C-CH, Cancer Research,
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SNA} Antitumor Agents, Apoptosis and Cell Cycle, Bioactive Small Molecule Alphabetical Index, C-CH, DNA Intercalators and Crosslinkers, DNA Modification / Repair, DNA metabolism, 生物活性小分子, 癌症研究, 细胞信号转导和神经科学, 细胞生物学
  • {SNA} Analytical Standards,
  • {SA} Antitumor Agents, Apoptosis and Cell Cycle, Bioactive Small Molecules,
  • {SNA} Apoptosis and Cell Cycle,

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, showing the scope and significance of nuclear quadrupole resonanc

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P310+P330
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P311
  • P308+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H350 May cause cancer 可能致癌
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSES7525000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 6.1 T
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R45 May cause cancer 可能致癌
UN Number 2811 UN 2811 6.1/PG 3
Packing GroupIII
Hazard Class6.1
Storage condition 0-10°C 2-8°C 
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Intraperitoneal
SP

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 135 mg/kg/4Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   AIMDAP Archives of Internal Medicine.  (AMA, 535 N. Dearborn St., Chicago,
   IL 60610)  V.1-    1908-  Volume(issue)/page/year: 137,355,1977

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - child
DOSE/DURATION           : 108 mg/kg/77W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   AFPEAM Archives Francaises de Pediatrie.  (Doin Editeurs, 8, Place de
   l'Odeon, F-75006 Paris, France) V.1-    1942-  Volume(issue)/page/year:
   36,592,1979

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 200 mg/kg/6Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   ACHAAH Acta Haematologica.  (S. Karger Pub., Inc., 79 Fifth Ave., New York,
   NY 10003)  V.1-    1948-  Volume(issue)/page/year: 63,283,1980

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 59 mg/kg/96W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   NPMDAD Nouvelle Presse Medicale.  (Paris, France)  V.1-11, 1972-82.
   Volume(issue)/page/year: 10,1717,1981

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   EJCAAH European Journal of Cancer.  (Oxford, UK)  V.1-17(6), 1965-1981. For
   publisher information, see EJCODS.  Volume(issue)/page/year: 13,873,1977

{h

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 20 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #2028335

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #2028335

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Primate - monkey
DOSE/DURATION           : 3 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - other changes
   Blood - other changes
REFERENCE :
   CCSUBJ Cancer Chemotherapy Reports, Part 2.  (Washington, DC)  V.1-5,
   1964-75.  For publisher information, see CTRRDO.  Volume(issue)/page/year:
   2,201,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPE

{ha

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 200 mg/L
REFERENCE :
   ARMKA7 Archiv fuer Mikrobiologie.  (Berlin, Fed. Rep. Ger.)  V.1-94,
   1930-73.  For publisher information, see AMICCW.  Volume(issue)/page/year:
   51,9,1965

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 2000 ppm
REF

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 300 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 242,169,1990

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 500 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   49,7031,1989

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   7),1,1986

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 12 mg/kg
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 34,1215,1978

TYPE OF TEST            : Mutation test systems - not otherwise spe

{h

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - man
DOSE                    : 5857 ug/kg
SEX/DURATION            : male 30 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 33,155,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 5160 ug/kg
SEX/DURATION            : female 33-75 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   JAMAAP JAMA, Journal of the American Medical Association.  (AMA, 535 N.
   Dearborn St., Chicago, IL 60610)  V.1-    1883-  Volume(issue)/page/year:
   186,74,1963

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - man
DOSE                    : 1 mg/kg
SEX/DURATION            : male 55 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   JAMAAP JAMA, Journal of the American Medical Association.  (AMA, 535 N.
   Dearborn St., Chicago, IL 60610)  V.1-    1883-  Volume(issue)/page/year:
   217,1662,1971

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 13500 ug/kg
SEX/DURATION            : female 8 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental

其他信息

  • 可燃性危险特性:热分解排出有毒氮氧化物, 氯化物烟雾
  • 类别:有毒物质
  • 毒性分级:高毒
  • 用途一:用于慢性淋巴性白血病，淋巴肉瘤、何杰金氏病、卵巢病的治疗。该品生产中具有氮芥基团的中间体毒性较大，易燃，操作时必须防止直接接触物料（及母液）
  • MOL 文件:305-03-3.mol
  • 急性毒性:口服-大鼠 LD50: 76 毫克/公斤; 口服-小鼠 LD50: 101 毫克/公斤
  • 储运特性:库房低温通风干燥; 与食品原料分开存放
  • MSDS 信息:Chloroambucil(305-03-3).msds
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • 方法一:由4-对氨基苯基丁酸经氯化氢甲醇溶液酯化、乙酸和环氧乙烷羟乙基化、三氯氧磷氯化、浓盐酸水解而得。
  • 上游原料:三氯氧磷 --> 苯丁酸 --> 氯化氢甲醇溶液
  • Sigma Aldrich:305-03-3(sigmaaldrich)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. C-CH - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Apoptosis and Cell Cycle - Cell Signaling and Neuroscience
  5. DNA metabolism - Apoptosis and Cell Cycle
  6. DNA Intercalators and Crosslinkers - DNA metabolism
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Unnatural Amino Acid Derivatives 人工合成氨基酸
  5. Others - Unnatural Amino Acid Derivatives

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