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Pro-Dasatinib

CAT: 0013-GTR19263270-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263270-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pro-Dasatinib (compound 2j) is an amino acid analogue of Dasatinib and serves as a potent Src/Abl kinase inhibitor. It exhibits antiproliferative activity against K652 leukemia cancer cells, with an IC50 of 0.21 nM.
CAS Number
2468065-01-0
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
N (C1=CC (N2CCN (C (=O) [C@@H]3CCCN3) CC2) =NC (C) =N1) C=4SC (C (NC5=C (C) C=CC=C5Cl) =O) =CN4
Molecular Formula
C25H29ClN8O2S
Molecular Weight
541.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pro-Dasatinib
CAS Number2468065-01-0
PubChem CID175683831
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Molecular FormulaC25H29ClN8O2S
Molecular Weight541.1
XLogP3.9
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity803
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)[C@@H]5CCCN5
InChI
InChI=1S/C25H29ClN8O2S/c1-15-5-3-6-17(26)22(15)32-23(35)19-14-28-25(37-19)31-20-13-21(30-16(2)29-20)33-9-11-34(12-10-33)24(36)18-7-4-8-27-18/h3,5-6,13-14,18,27H,4,7-12H2,1-2H3,(H,32,35)(H,28,29,30,31)/t18-/m0/s1
InChIKey
MBQUHHCDYFJDRD-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Pro-Dasatinib
CAS: 2468065-01-0
CID: 175683831
Formula: C25H29ClN8O2S
MW: 541.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.1
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass540.1822711
Monoisotopic Mass540.1822711
Topological Polar Surface Area144 Ų
Heavy Atom Count37
Formal Charge0
Complexity803
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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