TGN4 - Moligand™ , Allosteric modulator of SERCA1, CAS No.T614414, Allosteric modulator of SERCA1

CAS: T614414 Cat. No.: T614414 PubChem CID: 11457116

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ALLOSTERIC MODULATOR

작동 메커니즘

Allosteric modulator of SERCA1

이름과 식별자

• 정식 스마일: CCCCCCCC(=O)O[C@@H]1C(=O)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)C
• IUPAC Name: 5-[[12-[[(3S,3aR,4S,6S,6aR,7S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-7-octanoyloxy-2,8-dioxo-5,6a,7,9b-tetrahydro-4H-azuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-5-oxopentanoic acid
• InChIKey: WSISVGWHSKNHQQ-JEWAQKBPSA-N
• INCHI: 1S/C42H66N2O14/c1-6-7-8-14-17-21-32(48)56-36-34-33(26(2)35(36)49)37-42(54,41(5,53)39(52)57-37)29(25-40(34,4)58-27(3)45)55-31(47)20-18-15-12-10-9-11-13-16-19-24-44-30(46)23-22-28(43)38(50)51/h28-29,34,36-37,53-54H,6-25,43H2,1-5H3,(H,44,46)(H,50,51)/t28?,29-,34+,36-,37-,40-,41+,42+/m0/s1
• 이성체 SMILES: CCCCCCCC(=O)O[C@H]1[C@H]2C(=C(C1=O)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)([C@](C(=O)O3)(C)O)O
• PubChem CID: 11457116

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Glutamine and derivatives Alpha amino acids Alpha-acyloxy ketones Fatty acid esters N-acyl amines Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Secondary carboxylic acid amides 1,2-diols Amino acids Carboxylic acid esters Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Carboxylic acids Monoalkylamines Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pentacarboxylic acid or derivatives - Glutamine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Fatty amide - Gamma butyrolactone - N-acyl-amine - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Cyclic ketone - Secondary carboxylic acid amide - Lactone - 1,2-diol - Amino acid - Amino acid or derivatives - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Primary amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
• 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)

ATP2A1 Tchem Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (2 Activities)

Discover Target: ATP2A1

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

작용 메커니즘

자주 묻는 질문

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is T614414. InChIKey WSISVGWHSKNHQQ-JEWAQKBPSA-N.