Brr2 Inhibitor C9 - ≥98% , CAS No.2104030-82-0

CAS: 2104030-82-0 Cat. No.: B412565 Molecular Weight: 444.51

GRADE & PURITY ≥98%

Synonyms

Brr2 Inhibitor 9Pyrido[4,​3-​d]​pyrimidine-​2,​7(1H,​3H)​-​dione,4,​6-​dihydro-​6-​(phenylmethyl)​-​3-​[3-​(5-​thiazolylmethoxy)​phenyl]​-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Brr2 Inhibitor 9Pyrido[4, ​3-​d]​pyrimidine-​2, ​7(1H, ​3H)​-​dione, 4, ​6-​dihydro-​6-​(phenylmethyl)​-​3-​[3-​(5-​thiazolylmethoxy)​phenyl]​-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Brr2 inhibitor C9 (Brr2 Inhibitor 9) is an allosteric inhibitor of the spliceosomal RNA helicase Brr2. Brr2 is implicated in autosomal-dominant retinitis pigmentosa a group of progressive retinal degenerative disorders.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C2=CN(C(=O)C=C2NC(=O)N1C3=CC(=CC=C3)OCC4=CN=CS4)CC5=CC=CC=C5
• IUPAC Name: 6-benzyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
• InChIKey: GAWVULNDIBAUHU-UHFFFAOYSA-N
• INCHI: 1S/C24H20N4O3S/c29-23-10-22-18(13-27(23)12-17-5-2-1-3-6-17)14-28(24(30)26-22)19-7-4-8-20(9-19)31-15-21-11-25-16-32-21/h1-11,13,16H,12,14-15H2,(H,26,30)
• Isomeric SMILES: C1C2=CN(C(=O)C=C2NC(=O)N1C3=CC(=CC=C3)OCC4=CN=CS4)CC5=CC=CC=C5
• Molecular Weight: 444.51
• Reaxy-Rn: 31448963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31448963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Phenoxy compounds Phenol ethers Pyrimidones Pyridinones Alkyl aryl ethers Vinylogous amides Thiazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Phenoxy compound - Phenol ether - Pyrimidone - Pyridinone - Alkyl aryl ether - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Urea - Carbonic acid derivative - Lactam - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Associated Targets(Human)

SNRNP200 Tchem U5 small nuclear ribonucleoprotein 200 kDa helicase (1 Activities)

Discover Target: SNRNP200

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EIF4A1 Tchem Eukaryotic initiation factor 4A-I (286 Activities)

Discover Target: EIF4A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DHX29 Tbio ATP-dependent RNA helicase DHX29 (17 Activities)

Discover Target: DHX29

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Eif4a3 Eukaryotic initiation factor 4A-III (2 Activities)

Discover Target: Eif4a3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 89 mg/mL (200.22 mM); Ethanol: 2 mg/mL (4.49 mM); Water: Insoluble
• Sensitivity: Light sensitive
• Molecular Weight: 444.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 444.126 Da
• Monoisotopic Mass: 444.126 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 779.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1