BLM-IN-1 - ≥98% , CAS No.2056014-40-3

CAS: 2056014-40-3 Cat. No.: B1421542 PubChem CID: 137649032

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

BLM-IN-1 is an effective bloom syndrome protein (BLM) inhibitor. BLM-IN-1 has a high binding affinity with a K D valueof 1.81 μM. BLM-IN-1 has good inhibitory effect for BLM with an IC 50 value of 0.95 μM. BLM-IN-1 can induce cell apoptosis. BLM-IN-1can be used for the research of DNA damage and cancer.

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN(CC)CCCNC1=C(C=C2C(=C1)N=C3C(=CC4=CC=C(C=C4)C(C)C)CCN3C2=O)F
• IUPAC Name: (3E)-6-[3-(diethylamino)propylamino]-7-fluoro-3-[(4-propan-2-ylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
• InChIKey: GZSNGNPLURZQGM-CJLVFECKSA-N
• INCHI: 1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+
• Isomeric SMILES: CCN(CC)CCCNC1=C(C=C2C(=C1)N=C3/C(=C/C4=CC=C(C=C4)C(C)C)/CCN3C2=O)F
• PubChem CID: 137649032

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aromatic monoterpenoids Phenylpropanes Cumenes Secondary alkylarylamines Pyrimidones Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Secondary aliphatic/aromatic amine - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y