COH-29 - 10mM in DMSO , CAS No.1190932-38-7

CAS: 1190932-38-7 Cat. No.: C420844 분자식: C₂₂H₁₆N₂O₅S 분자량: 420.44

등급 & 순도 10mM in DMSO

Synonyms

MFCD28502212 | AC-35785 | BS-14458 | COH29 | COH-29 | N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide | UNII-07802BU06S | AKOS032944935 | HY-19931 | SCHEMBL10036527 | 07802BU06S | SY326705 | SB17258 | COH 29; COH-29 | Rnr inhi

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

COH-29 COH29 (RNR Inhibitor COH29) is a potent inhibitor of ribonucleotide reductase (RNR) with anticancer activity. COH29 (RNR Inhibitor COH29) inhibits recombinant RNR small subunit (RRM1/RRM2) activity in vitro with IC50 of 16 μM.

Targets

RNR (Cell-free assay) 16 μM

사양

동의어

MFCD28502212 | AC-35785 | BS-14458 | COH29 | COH-29 | N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide | UNII-07802BU06S | AKOS032944935 | HY-19931 | SCHEMBL10036527 | 07802BU06S | SY326705 | SB17258 | COH 29; COH-29 | Rnr inhi

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

COH29 (RNR Inhibitor COH29) is a potent inhibitor of ribonucleotide reductase (RNR) with anticancer activity. COH29 (RNR Inhibitor COH29) inhibits recombinant RNR small subunit (RRM1/RRM2) activity in vitro with IC50 of 16 μM.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

제품 특성

ALogP

4.4

hba_count

2

HBD 수

5

회전 가능한 결합

4

이름과 식별자

Pubchem Sid

528763792

정식 스마일

C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O

IUPAC Name

N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

InChIKey

LGGDLPSXAGQFSG-UHFFFAOYSA-N

INCHI

1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)

이성체 SMILES

C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O

분자량

420.44

Reaxy-Rn

19542631

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19542631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Catechols Benzoyl derivatives 2,4,5-trisubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 40
• DMSO(mM) 최대 용해도: 95.1384264104272
• 물(mg/mL) 최대 용해도: 60
• 물(mM) 최대 용해도: 142.707639615641
• 분자량: 420.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 420.078 Da
• Monoisotopic Mass: 420.078 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 590.000
• 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