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2’-Deschloro-2’-hydroxy Dasatinib

CAT: 0572-TRC-D288805-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288805-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1159977-25-9
Synonyms
5-Thiazolecarboxamide, 2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-(2-hydroxy-6-methylphenyl)-; 2-[[6-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-hydroxy-6-methylphenyl)thiazole-5-carboxamide
Hazard Statement
No Data Available
Smiles
Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3O)cc(n1)N4CCN(CCO)CC4
Molecular Formula
C22 H27 N7 O3 S
Molecular Weight
469.56
InChI
InChI=1S/C22H27N7O3S/c1-14-4-3-5-16(31)20(14)27-21(32)17-13-23-22(33-17)26-18-12-19(25-15(2)24-18)29-8-6-28(7-9-29)10-11-30/h3-5,12-13,30-31H,6-11H2,1-2H3,(H,27,32)(H,23,24,25,26)
Additionnal Information
IUPAC name: 2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-hydroxy-6-methylphenyl)-1,3-thiazole-5-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

N-(2-Hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide
CAS Number1159977-25-9
PubChem CID46781120
IUPAC Name2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-hydroxy-6-methylphenyl)-1,3-thiazole-5-carboxamide
Molecular FormulaC22H27N7O3S
Molecular Weight469.6
XLogP2.6
Topological Polar Surface Area155
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity639
SMILES
CC1=C(C(=CC=C1)O)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI
InChI=1S/C22H27N7O3S/c1-14-4-3-5-16(31)20(14)27-21(32)17-13-23-22(33-17)26-18-12-19(25-15(2)24-18)29-8-6-28(7-9-29)10-11-30/h3-5,12-13,30-31H,6-11H2,1-2H3,(H,27,32)(H,23,24,25,26)
InChIKey
QSYUTCLLUVARSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide
CAS: 1159977-25-9
CID: 46781120
Formula: C22H27N7O3S
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass469.18960892
Monoisotopic Mass469.18960892
Topological Polar Surface Area155 Ų
Heavy Atom Count33
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-D01289-012-Deschloro-2-Hydroxy Dasatinib
sc-2140692'-Deschloro-2'-hydroxy Dasatinib
AR-D01282-01Deschloro Dasatinib
CS-T-103888Deschloro Dasatinib-d7
sc-2101904'-Hydroxy Dasatinib
RM-D192029-01Dasatinib Impurity 2
KLB29771-01Des-6-[4- (2-hydroxyethyl) -1-piperazinyl]-6-chloro dasatinib
AR-D06525-01Des-6-[4- (2-hydroxyethyl) -1-piperazinyl]-6-chloro-O-pivalate Dasatinib
MBS6074429-01Dasatinib (N-[2-Chloro-6-methylphenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, BMS-354825)
MBS655382-01Dasatinib, Free Base (N-[2-Chloro-6-methylphenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, BMS-354825)

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