Methyl oleanonate - ≥99% , CAS No.1721-58-0

CAS: 1721-58-0 Cat. No.: M648154 분자식: C₃₁H₄₈O₃ 분자량: 468.71 PubChem CID: 10695622

등급 & 순도 ≥99%

Synonyms

SCHEMBL16152971 | MS-28660 | BDBM50456758 | HY-N7624 | AKOS040763800 | DTXSID201316509 | Methyl oleanonate | 3-Oxo-18beta-olean-12-en-28-oic acid methyl ester | 3-Oxo-olean-12-en-28-oic acid methyl ester | 3-Oxoolean-12-en-28-oic acid methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Methyl oleanonate is a natural triterpene PPARγ agonist isolated from the species of Pistacia lentiscus var. Chia Methyl oleanonate is a modified oleanolic acid derivative with anti-cancer effects .

Form:Solid

IC50& Target:PPARγ

사양

동의어

SCHEMBL16152971 | MS-28660 | BDBM50456758 | HY-N7624 | AKOS040763800 | DTXSID201316509 | Methyl oleanonate | 3-Oxo-18beta-olean-12-en-28-oic acid methyl ester | 3-Oxo-olean-12-en-28-oic acid methyl ester | 3-Oxoolean-12-en-28-oic acid methyl ester

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Methyl oleanonate is a natural triterpene PPARγ agonist isolated from the species of Pistacia lentiscus var. Chia. Methyl oleanonate is a modified oleanolic acid derivative with anti-cancer effects.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

AGONIST

순수함

≥99%

이름과 식별자

정식 스마일

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)OC)C

IUPAC Name

methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate

InChIKey

PPMUFCXCVKVCSV-VNNAKPRGSA-N

INCHI

1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1

이성체 SMILES

C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C

대체 CAS

1721-58-0

PubChem CID

10695622

분자량

468.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Methyl esters Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Methyl ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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)

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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MDA-MB-453 (1139 Activities)

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PC-3 (62116 Activities)

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A549 (127892 Activities)

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T47D (39041 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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SR (39847 Activities)

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관련 대상(비인간)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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J774.A1 (2436 Activities)

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RAW264.7 (28094 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 2.5 mg/mL (5.33 mM; ultrasonic and warming and heat to 60°C)
• 분자량: 468.700 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 468.36 Da
• Monoisotopic Mass: 468.36 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 942.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1721-58-0, the molecular formula is C31H48O3, and the molecular weight is 468.71 g/mol. InChIKey PPMUFCXCVKVCSV-VNNAKPRGSA-N.

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.