Efaproxiral (RSR13) - Moligand™,≥99% , Hemoglobin HbA negative modulator, CAS No.131179-95-8, Hemoglobin HbA negative modulator

CAS: 131179-95-8 Cat. No.: E651251 분자식: C₂₀H₂₃NO₄ 분자량: 341.40

등급 & 순도 Moligand™, ≥99%

Synonyms

FT-0667823 | AKOS016003776 | Efaproxiral (USAN/INN) | Efaproxiral [USAN:INN] | EN300-18568053 | MFCD28386333 | DTXSID40156934 | BNFRJXLZYUTIII-UHFFFAOYSA-N | D03961 | UNII-J81E81G364 | RSR13 | RSR-13 | SCHEMBL1649963 | Efaproxiral [USAN] | Rsr 13 | 2-[4-[

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Efaproxiral (RSR13) is a haemoglobin (Hb) synthetic allosteric modifier. Efaproxiral decreases Hb-oxygen (O2) binding affinity and enhances oxygenation of hypoxic tumours during radiation therapy

사양

동의어

FT-0667823 | AKOS016003776 | Efaproxiral (USAN/INN) | Efaproxiral [USAN:INN] | EN300-18568053 | MFCD28386333 | DTXSID40156934 | BNFRJXLZYUTIII-UHFFFAOYSA-N | D03961 | UNII-J81E81G364 | RSR13 | RSR-13 | SCHEMBL1649963 | Efaproxiral [USAN] | Rsr 13 | 2-[4-[

사양 및 순도

Moligand™,≥99%

생화학 및 생리적 메커니즘

Efaproxiral is a haemoglobin (Hb) synthetic allosteric modifier, decreases Hb-oxygen (O2) binding affinity and enhances oxygenation of hypoxic tumours during radiation therapy.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

NEGATIVE MODULATOR

작동 메커니즘

Hemoglobin HbA negative modulator

순수함

≥99%

제품 특성

ALogP

3.6

이름과 식별자

정식 스마일

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C

IUPAC Name

2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid

InChIKey

BNFRJXLZYUTIII-UHFFFAOYSA-N

INCHI

1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)

이성체 SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C

분자량

341.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenylacetamides Anilides m-Xylenes Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenylacetamide - Anilide - Phenoxy compound - Phenol ether - N-arylamide - M-xylene - Xylene - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

관련 대상(인간)

Homo sapiens (32628 Activities)

Explore this target

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : ≥ 150 mg/mL (439.37 mM)
• 분자량: 341.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 341.163 Da
• Monoisotopic Mass: 341.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 458.000
• 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