SYP-5 - 10mM in DMSO , CAS No.1384268-04-5

CAS: 1384268-04-5 Cat. No.: S421455 분자식: C₁₈H₁₆O₃S 분자량: 312.38 PubChem CID: 123131800

GRADE & PURITY 10mM in DMSO

Synonyms

2-​Propen-​1-​one,1-​(5-​hydroxy-​2,​2-​dimethyl-​2H-​1-​benzopyran-​6-​yl)​-​3-​(2-​thienyl)​-​,(2E)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

SYP-5 SYP-5 is an inhibitor of Hypoxia-inducible factor-1 (HIF-1) that suppresses tumor cell migration and invasion, as well as tumor angiogenesis.

Targets

HIF-1

Specifications

동의어

2-​Propen-​1-​one,1-​(5-​hydroxy-​2,​2-​dimethyl-​2H-​1-​benzopyran-​6-​yl)​-​3-​(2-​thienyl)​-​,(2E)​-

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

SYP-5 is an inhibitor of Hypoxia-inducible factor-1 (HIF-1) that suppresses tumor cell migration and invasion, as well as tumor angiogenesis.

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.

이름과 식별자

Pubchem Sid

528767241

정식 스마일

CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=CS3)C

IUPAC Name

(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-thiophen-2-ylprop-2-en-1-one

InChIKey

OMVURDVBYIJCOI-FNORWQNLSA-N

INCHI

1S/C18H16O3S/c1-18(2)10-9-14-16(21-18)8-6-13(17(14)20)15(19)7-5-12-4-3-11-22-12/h3-11,20H,1-2H3/b7-5+

PubChem CID

123131800

분자량

312.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Aryl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Oxacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Thiophene - Enone - Acryloyl-group - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
• 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

• 분자량: 312.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 312.082 Da
• Monoisotopic Mass: 312.082 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 483.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1