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Chemical structure of Tilpisertib fosmecarbil TFA

GC73140

Tilpisertib fosmecarbil TFA

Also known as phosphonooxymethyl N-[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]-N-[8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl]carbamate;2,2,2-trifluoroacetic acid

Tilpisertib fosmecarbil TFA is the TFA salt form of Tilpisertib

ChemicalCAS2567459-65-6MW861.16FormulaC37H37ClF3N8O9P
CAS number
2567459-65-6
Molecular weight
861.16
Formula
C37H37ClF3N8O9P
Solubility
DMSO ： 100 mg/mL (116·12 mM; Need ultrasonic)
InChIKey
IQAXFQBBUUXECL-ASIFPPIESA-N
Catalogue number
GC73140
Brand
GLPBIO
Computed properties PubChem CID 172005871 · TPSA 233 Ų · H-bond donors 4 · H-bond acceptors 17
TPSA
233 Ų
H-bond donors
4
H-bond acceptors
17
Rotatable bonds
12
Heavy atoms
59

SMILES CC(C)(C)CNC1=C2C=C(C=C(C2=NC=C1C#N)Cl)N([C@@H](C3=CC=CC4=C3C=CN(C4=O)C)C5=CN(N=N5)C67CC(C6)C7)C(=O)OCOP(=O)(O)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 172005871), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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