Celastrol - Moligand™, analytical standard, ≥98% , Inhibitor of regulator of G-protein signaling 17, CAS No.34157-83-0, Inhibitor of regulator of G-protein signaling 17

CAS: 34157-83-0 Cat. No.: C107671 분자식: C₂₉H₃₈O₄ 분자량: 450.61 EC 번호: 636-472-5

GRADE & PURITY Analytical standard, Moligand™, ≥98%

Synonyms

(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylicacid | IDI1_000718 | MLS002701906 | US9694016, 1156 | NCGC00178913-14 | Spectrum4_001966 | BSPBio_001905 | KBio2_003383 | CHEBI:63959

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Celastrol, Celastrus scandens, a compound originally purified from Tripterygium wilfordii, has been shown to be an anti-peroxidative and anti-angiogenic agent. Mechanistic studies suggest that Celastrol suppresses levels of VEGF and Flk-1 receptors, VEGFR-1 and VEGFR-2, which may reduce signal transduction between the two growth factors. Additionally, Celastrol has demonstrated the ability to disrupt critical interaction of Glu33 (Hsp90) and Arg167 (Cdc37) in the superchaperone complex which causes anti-proliferative activity in vitro and inhibit Topo II (topoisomerase II) activity in vitro (IC50 = 7.41 μM). Celastrol, Celastrus scandens is an inhibitor of Hsp90.

Specifications

동의어

(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylicacid | IDI1_000718 | MLS002701906 | US9694016, 1156 | NCGC00178913-14 | Spectrum4_001966 | BSPBio_001905 | KBio2_003383 | CHEBI:63959

사양 및 순도

Moligand™, analytical standard, ≥98%

생화학 및 생리적 메커니즘

Celastrol (Tripterin) is a plant-derived triterpene. Celastrol(Tripterin) has anti-inflammatory and immunosuppressive activity. Celastrol(Tripterin) is Antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitoc

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™, 분석 표준물질

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of regulator of G-protein signaling 17

순수함

≥98%

이름과 식별자

Pubchem Sid

528776384

정식 스마일

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O

IUPAC Name

(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

InChIKey

KQJSQWZMSAGSHN-JJWQIEBTSA-N

INCHI

1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1

이성체 SMILES

CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O

WGK 독일

2

대체 CAS

34157-83-0

NSC 번호

70931

UN 번호

2811

MeSH 용어

3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid;celastrol;tripterin;tripterine

분자량

450.61

Reaxy-Rn

5780870

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5780870&ln=

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: Cyclic ketones Monocarboxylic acids and derivatives Enols Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Enol - Carboxylic acid - 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: monocarboxylic acid - pentacyclic triterpenoid

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)

HIF1A Tchem Hypoxia-inducible factor 1-alpha (1 Activities)

Discover Target: HIF1A

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

TERT Tchem Telomerase reverse transcriptase (1 Activities)

Discover Target: TERT

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

RGS17 Tchem Regulator of G-protein signaling 17 (0 Activities)

Discover Target: RGS17

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

화학 및 물리적 특성

• 용해성: Soluble in DMSO (>10 mg/ml), ethanol, DMF:PBS(pH 7.2)(1:10), and DMF. Insoluble in water.
• 특정 회전[α]: -122.7° (C=0.1,CHCl3)
• 녹는점(°C): 203°C(lit.)
• 분자량: 450.600 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 450.277 Da
• Monoisotopic Mass: 450.277 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 1100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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