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Chemical structure of A1874

GC33280

A1874

Also known as (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[2-[[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]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide

A1874 is a nutlin-based (MDM2 ligand) and BRD4-degrading PROTAC with a DC50 of 32 nM (induce BRD4 degradation in cells)· Effective in inhibiting many cancer cell lines proliferation

ChemicalCAS2064292-12-0MW1173.59FormulaC58H62Cl3F2N9O7S
CAS number
2064292-12-0
Molecular weight
1173.59
Formula
C58H62Cl3F2N9O7S
Solubility
DMSO ： 150 mg/mL (127·81 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
IPNTVOAQOGRLQB-JJMBTQCASA-N
Catalogue number
GC33280
Brand
GLPBIO
Computed properties PubChem CID 124201003 · XLogP 8.9 · TPSA 231 Ų · H-bond donors 4
XLogP
8.9
TPSA
231 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
23
Heavy atoms
80

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCNC(=O)C4=CC(=C(C=C4)NC(=O)[C@H]5[C@@H]([C@@]([C@@H](N5)CC(C)(C)C)(C#N)C6=C(C=C(C=C6)Cl)F)C7=C(C(=CC=C7)Cl)F)OC)C8=CC=C(C=C8)Cl)C

Computed descriptors from PubChem (CID 124201003), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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