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Chemical structure of PROTAC CYP1B1 degrader-1

GC69749

PROTAC CYP1B1 degrader-1

Also known as 2-(2,6-dioxopiperidin-3-yl)-4-[6-[4-[4-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)phenyl]triazol-1-yl]hexoxy]isoindole-1,3-dione

PROTAC CYP1B1 degrader-1 (Compound 6C) is an α-naphthoflavone derivative that can eliminate drug resistance mediated by cytochrome P450 (CYP)1B1 by targeting and degrading it· Its IC50 values for CYP1B1 and CYP1A2 are 95·1 and 9838·6 nM, respectively· PROTAC CYP1B1 Degrader-1 can be used to study prostate cancer with overexpression of CYP1B1

ChemicalCAS2411389-67-6MW785.8FormulaC43H39N5O10
CAS number
2411389-67-6
Molecular weight
785.8
Formula
C43H39N5O10
Solubility
DMF ： 10 mg/mL (12·73 mM; Need ultrasonic)
InChIKey
MRMQVUIZIOZVSD-UHFFFAOYSA-N
Catalogue number
GC69749
Brand
GLPBIO
Computed properties PubChem CID 162657232 · XLogP 5 · TPSA 177 Ų · H-bond donors 1
XLogP
5
TPSA
177 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
58

SMILES COC1=C2C(=CC3=C(C2=C(C=C1)OC)OC(=CC3=O)C4=CC=C(C=C4)C5=CN(N=N5)CCCCCCOC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)OC

Computed descriptors from PubChem (CID 162657232), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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