3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide

CAS Registry Number®

912545-86-9
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CAS Name

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide

Molecular Formula

C28H28ClN3OS

Molecular Mass

490.06

Cite this Page

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=912545-86-9 (retrieved 2024-04-29) (CAS RN: 912545-86-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-

InChIKey

InChIKey=VFSUUTYAEQOIMW-YHBQERECNA-N

SMILES

N(C(=O)C1=C(Cl)C=2C(S1)=CC=CC2)(CC3=CC(=CC=C3)C=4C=CN=CC4)[C@@H]5CC[C@@H](NC)CC5

Canonical SMILES

O=C(C=1SC=2C=CC=CC2C1Cl)N(CC3=CC=CC(=C3)C=4C=CN=CC4)C5CCC(NC)CC5

Other Names for this Substance

  • Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]-
  • 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide
  • SAG
  • SAG (cyclopamine antagonist)
  • SAG (Smo agonist)

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