Bongkrekic acid - Moligand™, ≥98% , Inhibitor of Mitochondrial adenine nucleotide translocator 1, CAS No.11076-19-0, Inhibitor of Mitochondrial adenine nucleotide translocator 1

CAS: 11076-19-0 Cat. No.: B347368 분자식: C₂₈H₃₈O₇ 분자량: 486.60 EC 번호: 998-673-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid | Bongkrek acid | GTPL4689 | BONGKREKIC ACID | DTXSID00894840 | L7V4I673D2 | Bongkreksaure | BKC | 3-Carboxymethyl-17-methoxy-6,18,2

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Bongkrekic acid is a mitochondrial toxin secreted by the bacteria Pseudomonas cocovenenans. Bongkrekic acid specific ligand for mitochondrial adenine nucleotide translocase (ANT) rather than the electron transport chain. Bongkrekic acid has to cross the mitochondrial inner membrane to produce its inhibitory effect on ADP/ATP transport.

Specifications

동의어

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid | Bongkrek acid | GTPL4689 | BONGKREKIC ACID | DTXSID00894840 | L7V4I673D2 | Bongkreksaure | BKC | 3-Carboxymethyl-17-methoxy-6,18,2

사양 및 순도

Moligand™, ≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of Mitochondrial adenine nucleotide translocator 1

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528763618
• 정식 스마일: CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O
• IUPAC Name: (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid
• InChIKey: SHCXABJSXUACKU-WUTQZGRKSA-N
• INCHI: 1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1
• 이성체 SMILES: C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O
• 분자량: 486.60
• Reaxy-Rn: 32317741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32317741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: ether - tricarboxylic acid

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)

SLC25A4 Tbio ADP/ATP translocase 1 (0 Activities)

Discover Target: SLC25A4

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

화학 및 물리적 특성

• 용해성: Soluble in NH4OH (2N ), DMSO (100 mg/ml), and water.
• 감도: Light Sensitive；Moisture Sensitive
• 굴절률: n20D1.55 (Predicted)
• 녹는점(°C): 50-60° C
• 분자량: 486.600 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 486.262 Da
• Monoisotopic Mass: 486.262 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 898.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 7
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 7
• Covalently-Bonded Unit Count: 1