Basic information
- CAS
156294-36-9- Standard SMILES
CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C- InChIKey
DXOJIXGRFSHVKA-BZVZGCBYSA-N- Molecular formula
- C45H53NO14
- Average molar mass
- 831.9 g/mol
Overview
Larotaxel has been used in trials studying the treatment of Cancer, Metastases, Breast Cancer, Breast Neoplasms, and Pancreatic Neoplasms, among others.
Names & identifiers
- Preferred name
- Larotaxel
- IUPAC
- [(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoate
- English name
- Larotaxel
- Molecular formula
- C45H53NO14
- Molecular weight
- 831.9
Names & synonyms
Larotaxel156294-36-9XRP9881XRP-9881TWQ8K8A81Y[(1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo[12.3.1.03,11.04,7.09,11]octadec-14-en-2-yl] benzoateBenzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca(3,4)cyclopropa(4,5)benz(1,2-b)oxet-4-yl ester, (alphaR,betaS)-Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl ester, (alphaR,betaS)-DTXSID60935420larotaxelum((1S,2S,3R,4S,7R,9S,11R,13R,16S)-4,13-diacetyloxy-1-hydroxy-16-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-15,18,18-trimethyl-12-oxo-6-oxapentacyclo(12.3.1.03,11.04,7.09,11)octadec-14-en-2-yl) benzoate
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,790
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 170 · 170 - 174°C (dec.)
- Boiling point
- 889.3 · 889.3±65.0 °C(Predicted)
- Density
- 1.37 · 1.37
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.2 · 11.20±0.46(Predicted)
- color
- White to Off-White
- FDA UNII
- 8 K8A81Y · TWQ8K8A81Y
- NCI Drug Dictionary
- larotaxel
Chemistry & industry
Applications
UsesLarotaxel (RPR 109881A) is a taxane analog with a broad spectrum of activity and different toxicity profile and with the possible advantages of surpassing some mechanisms of resistance and penetrating into the CNS.
Suppliers43 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉灵灵九生物科技有限公司15623309010
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
湖北佩孜医药科技有限公司0712-4220300 17720472265 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
1 records
Compound notes
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