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Chemical structure of Dasatinib metabolite M6

GC62923

Dasatinib metabolite M6

Also known as 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid

Dasatinib metabolite M6 (Dasatinib carboxylic acid) is an oxidative metabolite of Dasatinib

ChemicalCAS910297-53-9MW501.99FormulaC22H24ClN7O3S
CAS number
910297-53-9
Molecular weight
501.99
Formula
C22H24ClN7O3S
Solubility
DMSO : 100 mg/mL (199·21 mM; Need ultrasonic)
InChIKey
VMCDXJFWSYUNPO-UHFFFAOYSA-N
Catalogue number
GC62923
Brand
GLPBIO
Computed properties PubChem CID 11854012 · XLogP 1.6 · TPSA 152 Ų · H-bond donors 3
XLogP
1.6
TPSA
152 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
34

SMILES CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CC(=O)O

Computed descriptors from PubChem (CID 11854012), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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