SGC0946 7μM R03 exp151

PubChem Name: 1-[3-[[(2R,3S,4R,5R)-5-(4-Amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea

Synonyms: N/A

CAS #: 1561178-17-3

PubChem CID: 56962337

IUPAC: 1-[3-[[(2R,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea

INCHI Name: InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1

INCHI Key: IQCKJUKAQJINMK-HUBRGWSESA-N

Molecular Weight: 618.6

Canonical SMILES: CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O

Isomeric SMILES: CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O

Molecular Formula: C28H40BrN7O4

Supplier Name: Structural Genomics Consortium

Catalog #: N/A

Lot #: N/A

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C28H40BrN7O4 618.23979; found 618.24052

Platform ID: SGC0946

Min: 1.1554; Max: 74.5033