Basic information
- CAS
228266-40-8- Standard SMILES
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1- InChIKey
CNTMOLDWXSVYKD-PSRNMDMQSA-N- Molecular formula
- C27H43N3O4
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.32535686
Names & identifiers
- Preferred name
- N,beta,beta-Trimethyl-L-phenylalanyl-N-((1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl)-N,3-dimethyl-L-valinamide
- IUPAC
- (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
- English name
- TANDUTINIB
- Molecular formula
- C27H43N3O4
- Molecular weight
- 473.66
Names & synonyms
Taltobulin228266-40-8HTI-286HTI 286TaltobulinaTaltobulineJ6D6912BXSSPA-110DTXSID2041040taltobulinumHTI286RefChem:926389
Show more names
CS-1371Taltobulin (HTI-286)HTI-286 hydrochlorideSPA-110 hydrochlorideHTI-286 HYDROCHLORIDESPA-110 HYDROCHLORIDE
DTXCID0021040N,beta,beta-Trimethyl-L-phenylalanyl-N-((1S,2E)-3-carboxy-1-(1-methylethyl)-2-buten-1-yl)-N,3-dimethyl-L-valinamideSPA 110(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acidCHEMBL182319(S,E)-2,5-dimethyl-4-((S)-N,3,3-trimethyl-2-((S)-3-methyl-2-(methylamino)-3-phenylbutanamido)butanamido)hex-2-enoic acidUNII-J6D6912BXSHTI-286;SPA-110
Database identifiers
- CAS
228266-40-8- PubChem CID
- 6918637
- DTXSID
DTXSID2041040- ChEMBL
CHEMBL182319
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- Melting point
- 135 · 135-137 ºC
- Boiling point
- 662.4 · 662.4±55.0 °C(Predicted)
- Density
- 1.063 · 1.063
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- 40 mg/ml · DMSO: 40 mg/ml
- form
- A solid
- pka
- 4.68 · 4.68±0.19(Predicted)
- color
- White to off-white
- FDA UNII
- 6 D6912BXS · J6D6912BXS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesTreatment of solid tumors.
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
南通裕健医药科技有限公司13962794339
上海明褀化学有限公司86-21-60936353
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
Related reactions
6 records
Compound notes
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