CAS 4759-48-2 MFCD00079542-13-cis-Retinoic acid 13-顺式视黄酸 -LabNovo

13-cis-Retinoic acid 13-顺式视黄酸

CAS 4759-48-2 MFCD00079542

化学结构图

SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1

化学属性

Mol. Formula	C20H28O2
Mol. Weight	300.44
Melting Point	174-177°C
Appearance	(20天)小鼠，大鼠(mg/kg)：904，901腹腔注射；3389＞4000口服。黄色或淡橙色结晶性粉末，熔点179-184℃ powder 从异丙醇得到橙红色片状结晶，熔点174～175℃。UV最大吸收：354nm(ε39800)。急性毒性LD 50
Solubility	insoluble
Boiling Point	462.8°C at 760 mmHg
Flash Point	350.6°C

别名和识别编码

Chemical Name	13-cis-Retinoic acid
MDL Number	MFCD00079542
CAS Number	4759-48-2
Synonym	Isotretinoin {PubChem} 13 cis Retinoic Acid 13-CIS-RETINOIC ACID 13-cis-RA 13-cis-Retinoic Acid {} {Chemicalbook} (L)-ISOTRETINOIN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number	225-296-0
PubChem Substance ID	5282379
Chemical Name Translation	13-顺式视黄酸
Merck Number	5228
Beilstein Registry Number	9(4)2388
Reaxys-RN	1885770
Wiswesser Line Notation	L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1
LabNetwork Molecule ID	LN01311301
InChI	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
Canonical SMILES	CC1(C)C(/C=C/C(C)=C/C=C/C(C)=C\C(O)=O)=C(C)CCC1

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品牌质保精细包装现货库存一流品牌服务

安全信息

WGK Germany3

RTECSVH6440000

GHS Symbol

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P273 Avoid release to the environment. 避免释放到环境中。
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。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P302+P350
P302+P352
P302+P352+P332+P313+P362+P364
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P308+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P337+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
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激
H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

Signal word Danger

Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

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；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
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）；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Hazard Codes T T,Xn

Risk Statements

R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Packing GroupIII

Hazard Class6.1(b)

Storage condition -20°C, protect from light, stored under nitrogen {Chemicalbook} -20°C -86°C 2-8°C <0°C {} {LY} - 86℃

UN Number 3249

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3389 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   51ZKAN "The Retinoids, Vol.2," Sporn, M.B., et al., eds., New York, Academic
   Press, Inc., 1984  Volume(issue)/page/year: 2,287,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 24 mg/kg/4W-I
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - other changes
REFERENCE :
   GASTAB Gastroenterology.  (Academic Press, Inc., 1 E. First St., Duluth, MN
   55802)  V.1-    1943-  Volume(issue)/page/year: 93,606,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAADDB Journal of the American Academy of Dermatology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63141)  1979-
   Volume(issue)/page/year: 6,652,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - child
DOSE/DURATION           : 360 mg/kg/26W-I
TOXIC EFFECTS :
   Skin and Appendages - sweating
REFERENCE :
   CUTIBC CUTIS; Cutaneous Medicine for the Practitioner.  (Technical Pub., 875
   Third Ave., New York, NY NY 10022)    1965-  Volume(issue)/page/year:
   38,275,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1960 mg/kg
TOXIC EFFECTS :
   Details of toxic effects

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human Embryo
DOSE/DURATION           : 25 umol/L
REFERENCE :
   TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis.  (Alan R. Liss, Inc.,
   41 E. 11th St., New York, NY 10003)  V.1-    1980- Volume(issue)/page/year:
   11,297,1991

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 50 umol/L
REFERENCE :
   BLFSBY Basic Life Sciences.  (Plenum Pub. Corp., 223 Spring St., New York,
   NY 10003)  V.1-    1973-  Volume(issue)/page/year: 29A,333,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 10-11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   IJEPEI International Journal of Experimental Pathology.  (Blackwell
   Scientific Publications Ltd., POB 88, Oxford, OX2 0NE, United kingdom) V.71-
      1990-  Volume(issue)/page/year: 73,551,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 2400 ug/kg
SEX/DURATION            : female 22-24 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   AJOTBN American Journal of Otology.  (J.B. Lippincott Co., 227E. Washington
   Square, Philadelphia, PA 19106)  V.1-    1979-  Volume(issue)/page/year:
   15,400,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 50 mg/kg
SEX/DURATION            : female 8 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume

其他信息

维 A 酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 R0064 视黄酸 Retinoic Acid 1G 1520元 2014/06/02 R0064 视黄酸 Retinoic Acid 5G 4700元 2010/06/21 207340010 维 A 酸 all-trans-Retinoic acid 97% 1 GR 1739元
color:yellow
用途一:用于异常型痤疮、鱼鳞病和异常型银屑病
用途二:为维生素A类药物，有强而快抑制皮肤腺细胞的增生和分化过程的功能，对严重节状囊性痤疮有高效。本品肠胃吸收较好，而局部用药无效。用于其它药物治疗无效的严重痤疮、囊肿性痤疮、聚会性痤疮，对酒渣鼻、鱼鳞病、毛囊角化症及毛发红糠疹等皮肤疾患也有一定的效果。
用途三:维生素A酸(ATRA) 是一种维生素A酸受体(RAR)和Retinoid X 受体(RXR)的配体，结合上RAR 和 RXR作为转导因子，调控正常细胞和肿瘤细胞的生长和分化。细胞色素P450 (CYPs) 催化ATRA的羟基化；维生素A酸引导胚胎干细胞(embryonic stem cells) 演变成神经元。
方法一:β-紫罗兰酮和乙基氯化镁反应后，再和三苯膦反应形成三苯基镌盐，然后和环戊烯酮衍生物反应，生成异维A酸及其8Z异构体。其8Z异构体分离后，经硝酸钯作用异构化为异维A酸。
Acros Organics:13-顺式视黄酸(异维A酸) 13-cis-Retinoic acid, 99%(4759-48-2)
F:7-8-16-23
用途二:用于异常型痤疮、鱼磷病和异常型银屑病。
异维 A 酸价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 418975000 异维 A 酸 13-cis-Retinoic acid 99% 500 MG 2585元
MSDS 信息:3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid(302-79-4).msds
Alfa Aesar:视黄酸,98% Retinoic acid, 98%(302-79-4)
Acros Organics:全反式维甲酸/视黄酸 all-trans-Retinoic acid, 97%(302-79-4)
上游原料:三苯基膦 --> 紫罗兰酮 --> 乙基氯化镁 --> 环戊烯酮 --> 硝酸钯
Sigma Aldrich:302-79-4(sigmaaldrich)
MSDS 信息:13-cis-Retinoic acid(4759-48-2).msds
用途三:用于严重痤疮等。
MOL 文件:4759-48-2.mol
MOL 文件:302-79-4.mol
Sigma Aldrich:4759-48-2(sigmaaldrich)
TCI Shanghai:视黄酸 Retinoic Acid,>;98.0%(T)(302-79-4)
图谱信息:维 A 酸(302-79-4)红外图谱(IR1)
维 A 酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 R0064 视黄酸 Retinoic Acid 1G 1250元 2011/04/16 R0064 视黄酸 Retinoic Acid 5G 3880元 2010/06/21 207340010 维 A 酸 all-trans-Retinoic acid 97% 1 GR 1739元
用途一:用于治疗严重痤疮等症

13-cis-Retinoic acid 13-顺式视黄酸

CAS 4759-48-2 MFCD00079542

化学结构图

化学属性

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化学结构图

化学属性

别名和识别编码

分类

相关文献及参考

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其他信息

系列性分类

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