Chem
J-GLOBAL ID：201107013429421090   Nikkaji number：J2.897.151F

(-)-JQ-1

(6R)-6,9a-ジヒドロ-2,3,9-トリメチル-4-(4-クロロフェニル)-5,7,8,9a-テトラアザアズレノ[4,5-b]チオフェン-6-酢酸tert-ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H25ClN4O2S
Molecular formula furigana： C23-H25-CL-N4-O2-S
Molecular weight： 456.990
InChI： InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m1/s1
InChI key： DNVXATUJJDPFDM-QGZVFWFLSA-N
SMILES： Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3n12)c1ccc(Cl)cc1
Systematic name  (3)：
  • (6R)-6,9a-ジヒドロ-2,3,9-トリメチル-4-(4-クロロフェニル)-5,7,8,9a-テトラアザアズレノ[4,5-b]チオフェン-6-酢酸tert-ブチル
  • tert-ブチル 2-[(9R)-7-(4-クロロフェニル)-4,5,13-トリメチル-3-チア-1,8,11,12-テトラアザトリシクロ[8.3.0.02,6]トリデカ-2(6),4,7,10,12-ペンタエン-9-イル]アセタート
  • tert-butyl 2-[(9R)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
Other name (2)：
  • (6R)-6,9a-Dihydro-2,3,9-trimethyl-4-(4-chlorophenyl)-5,7,8,9a-tetraazaazuleno[4,5-b]thiophene-6-acetic acid tert-butyl ester
  • (-)-JQ-1
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