![Chemical structure of N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide, CAS 302962-49-8](https://api.angenesci.com/structure/1858/302962-49-8.png)
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| CAS Number | 302962-49-8 |
| Catalog Number | AG002ZJN(AGN-PC-0R5NJ2) |
| Chemical Name | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide |
| EC Number | 801-607-0 |
| IUPAC Name | N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide |
| InChI | InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) |
| InChI Key | ZBNZXTGUTAYRHI-UHFFFAOYSA-N |
| MDL Number | MFCD08704581 |
| Molecular Formula | C22H26ClN7O2S |
| Molecular Weight | 488.0055 |
| SMILES | O=C(Nc1c(cccc1Cl)C)c4cnc(Nc2nc(nc(c2)N3CCN(CCO)CC3)C)s4 |
| UNII | X78UG0A0RN |
| Synonyms | (18F)-N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide,
354825, BMS,
BMS 354825,
BMS-354825,
BMS354825,
dasatinib,
N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide,
Sprycel,
Dasatinib,
302962-49-8,
Sprycel,
BMS-354825,
BMS 354825,
BMS354825,
dasatinibum,
Dasatinib (anhydrous),
Dasatinib (BMS-354825),
N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE,
N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide,
anh. dasatinib,
Dasatinib [USAN],
BMS Dasatinib,
UNII-X78UG0A0RN,
anhydrous dasatinib,
dasatinib (anh.),
N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide,
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide,
CHEMBL1421,
X78UG0A0RN,
CHEBI:49375,
Dasatinib D8,
NSC732517,
NSC-732517,
NCGC00181129-01,
Dasatinib anhydrous,
DSSTox_CID_20979,
DSSTox_RID_79608,
DSSTox_GSID_40979,
5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-,
Q-101345,
2-{6-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-methyl-pyrimidin-4-ylamino}-thiazole-5-carboxylic acid (2-chloro-6-methyl-phenyl)-amide,
5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-,
N-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide,
SMR002529551,
CAS-302962-49-8,
302962-49-8 pound not863127-77-9,
Dasatinib [USAN:INN],
BMS-354825-03,
Dasatinib, BMS 354825,
Dasatinib;,
1N1,
n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide,
Kinome_3650,
Dasatinib (JAN/INN),
AC1MI3ET,
Sprycel (Bristol Meyers),
AC1Q2P0C,
SCHEMBL8226,
Dasatinib BMS-354825,
Dasatinib,BMS-354825,
MLS003915609,
MLS004774145,
MLS006010904,
BMS 354825|||Sprycel,
Dasatinib - BMS-354825,
GTPL5678,
DTXSID4040979,
BDBM13216,
cid_3062316,
CTK8B4120,
EX-A401,
QCR-106,
SYN1036,
ZBNZXTGUTAYRHI-UHFFFAOYSA-N,
5-Thiazolecarboxamide, monohydrate,
BCPP000263,
HMS2043N05,
HMS3244A05,
HMS3244A06,
HMS3244B05,
HMS3265C19,
HMS3265C20,
HMS3265D19,
HMS3265D20,
HMS3654K05,
Pharmakon1600-01502275,
AOB87355,
BCP01797,
ZINC3986735,
Tox21_112736,
2359AH,
ANW-43935,
CD0138,
FC0026,
MFCD11046566,
NSC759877,
s1021,
AKOS015902363,
Tox21_112736_1,
AN-5289,
API0002220,
BCP9000589,
BMS 345825,
CS-0100,
DB01254,
GS-6548,
NSC-759877,
RTR-013021,
RTR-021205,
SB17284,
TRA0075817,
KS-0000027F,
NCGC00181129-02,
NCGC00181129-03,
NCGC00181129-05,
NCGC00181129-06,
NCGC00181129-12,
2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide,
AC-22749,
AK-47532,
BCB03_000715,
BMS 35482513,
BR-47532,
EN002710,
HY-10181,
OR302638,
SC-22079,
AB0066750,
AX8035158,
LS-186641,
LS-187028,
LS-187773,
ST2419212,
TR-013021,
AM20080877,
FT-0084503,
FT-0650671,
SW208076-5,
EC-000.2122,
A-2429,
D-3307,
D03658,
49310-EP2270008A1,
49310-EP2292617A1,
49310-EP2311840A1,
AB01273956-01,
AB01273956-02,
AB01273956_03,
SR-00000000554,
I14-1972,
SR-00000000554-5,
BRD-K49328571-001-05-1,
BRD-K49328571-001-07-7,
BMS-354825;BMS354825;BMS 354825,
Z2786158251,
N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thia,
N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide,
Spyrcel,
Dasatinib hydrate,
Dasatinib (USAN),
SPRYCEL (TN),
C22H26ClN7O2S,
D0E6XR,
cc-352,
Tyrosine Kinase Inhibitor - Ns,
C22-H26-Cl-N7-O2-S,
ACN-029236,
CID3062316,
CS-O-01350,
354825, BMS,
A3017,
A10290,
BMS-354825, Sprycel, BMS354825, Dasatinib,
C488369,
D000069439,
(18F)-N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide,
10025-91-9,
1132093-70-9,
183319-69-9,
5-tiazolcarboxamida, n-(2-cloro-6-metilfenil)-2-[[6-[4-(2-hidroxietil)-1-piperazinil]-2-metil-4-pirimidinil]amino]-,
863127-77-9,
N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, monohydrate,
na,
|
| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 487.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 488.007g/mol |
| Monoisotopic Mass | 487.156g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

