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Chemical structure of BLM-IN-1

GC65428

BLM-IN-1

Also known as (3E)-6-[3-(diethylamino)propylamino]-7-fluoro-3-[(4-propan-2-ylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

BLM-IN-1 (compound 29) is an effective Bloom syndrome protein (BLM) inhibitor, with a strong BLM binding KD of 1·81 μM and an IC50 of 0·95 μM for BLM· Induces DNA damage response, as well as apoptosis and proliferation arrest in cancer cells

ChemicalCAS2056014-40-3MW462.6FormulaC28H35FN4O
CAS number
2056014-40-3
Molecular weight
462.6
Formula
C28H35FN4O
Solubility
DMSO ： 8·33 mg/mL (18·01 mM; Need ultrasonic)
InChIKey
GZSNGNPLURZQGM-CJLVFECKSA-N
Catalogue number
GC65428
Brand
GLPBIO
Computed properties PubChem CID 137649032 · XLogP 5.3 · TPSA 47.9 Ų · H-bond donors 1
XLogP
5.3
TPSA
47.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34

SMILES CCN(CC)CCCNC1=C(C=C2C(=C1)N=C3/C(=C/C4=CC=C(C=C4)C(C)C)/CCN3C2=O)F

Computed descriptors from PubChem (CID 137649032), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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