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Chemical structure of BRD4/NAMPT-IN-1

GC73953

BRD4/NAMPT-IN-1

Also known as (E)-N-[3-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propyl]-3-pyridin-3-ylprop-2-enamide

BRD4/NAMPT-IN-1 (Compound A2) shows strong inhibitory effects on NAMPT and BRD4 (IC50=35 nM (NAMPT) and 58 nM (BRD4))

ChemicalCAS3049218-28-9MW588.12FormulaC30H30ClN7O2S
CAS number
3049218-28-9
Molecular weight
588.12
Formula
C30H30ClN7O2S
Solubility
DMSO ： 100 mg/mL (170·03 mM; Need ultrasonic)
InChIKey
XOCKWBJNBUYYAL-SZIFGRNDSA-N
Catalogue number
GC73953
Brand
GLPBIO
Computed properties PubChem CID 172005863 · XLogP 4 · TPSA 142 Ų · H-bond donors 2
XLogP
4
TPSA
142 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
41

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCNC(=O)/C=C/C4=CN=CC=C4)C5=CC=C(C=C5)Cl)C

Computed descriptors from PubChem (CID 172005863), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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