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Chemical structure of Biotinylated-JQ1

GC64789

Biotinylated-JQ1

Also known as 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[2-[2-[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]propoxy]ethoxy]ethoxy]propyl]pentanamide

Biotinylated-JQ1 (Biotin-JQ1) is a biotinylated derivative of JQ1 with high affinity for the bromodomain of BRD4· Biotinylated-JQ1 inhibits MM1·S multiple myeloma cells proliferation with the EC50?of 0·4 μM

ChemicalCAS1635437-52-3MW829.47FormulaC39H53ClN8O6S2
CAS number
1635437-52-3
Molecular weight
829.47
Formula
C39H53ClN8O6S2
Solubility
DMSO ： 180 mg/mL (217·01 mM; Need ultrasonic)
InChIKey
HLZRRKIVMLXYEU-MSMWPWNWSA-N
Catalogue number
GC64789
Brand
GLPBIO
Computed properties PubChem CID 162679326 · XLogP 3.4 · TPSA 224 Ų · H-bond donors 4
XLogP
3.4
TPSA
224 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
22
Heavy atoms
56

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C6=CC=C(C=C6)Cl)C

Computed descriptors from PubChem (CID 162679326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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