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Chemical structure of DNA relaxation-IN-1

GC75731

DNA relaxation-IN-1

Also known as 2-amino-8-tert-butyl-4-(2-methyl-1H-indol-3-yl)-6-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]-4H-chromene-3-carbonitrile

DNA relaxation-IN-1 (compound 27) is a DNA Ligase 1 (DNA Lig1) inhibitor, which inhibits DNA ligation and disrupts Lig I’s DNA relaxation activity

ChemicalCAS2190506-29-5MW493.62FormulaC30H27N3O2S
CAS number
2190506-29-5
Molecular weight
493.62
Formula
C30H27N3O2S
Solubility
DMSO： 100 mg/mL (202·58 mM; Need ultrasonic)
InChIKey
XAAIDHPZKXBLMF-VAWYXSNFSA-N
Catalogue number
GC75731
Brand
GLPBIO
Computed properties PubChem CID 145957134 · XLogP 7.3 · TPSA 120 Ų · H-bond donors 2
XLogP
7.3
TPSA
120 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
36

SMILES CC1=C(C2=CC=CC=C2N1)C3C4=C(C(=CC(=C4)/C=C/C(=O)C5=CC=CS5)C(C)(C)C)OC(=C3C#N)N

Computed descriptors from PubChem (CID 145957134), 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.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.