Cucurbitacin I - ≥98% , CAS No.2222-07-3

Name: Cucurbitacin I - ≥98% , CAS No.2222-07-3
SKU: C275563
Availability: InStock

CAS: 2222-07-3 Cat. No.: C275563 분자식: C₃₀H₄₂O₇ 분자량: 514.66 EC 번호: 218-736-8

COA

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Cucurbitacin I - ≥98% CAS No(2222-07-3) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥98%

Synonyms

(4R,9beta,16alpha,23E)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione | MLS002702902 | 2,16,20,25-Terahydroxycucurbita-1,5,23-triene-3,11,22-trione - Iberis umbellata (candytuft) | LMST01010110 | Cucurbi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Cucurbitacin I, a natural compound, is a selective inhibitor of JAK2/STAT3 with anti-cancer activity.

Specifications

동의어

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Selective inhibitor of STAT3/JAK2 signaling pathways. Blocks STAT3 and JAK2 activation. Inactive towards Src, Akt1, ERK and JNK. Inhibits growth of tumors with constitutively active STAT3 in animal models. Suppresses invasion and angiogenesis of glioblast

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid	528775566
정식 스마일	CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C
IUPAC Name	(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
InChIKey	NISPVUDLMHQFRQ-MKIKIEMVSA-N
INCHI	1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
이성체 SMILES	C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
분자량	514.66
Reaxy-Rn	2343110
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2343110&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 분류 Steroids and steroid derivatives
    - Subclass Cucurbitacins

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
분류	Steroids and steroid derivatives
Subclass	Cucurbitacins
Intermediate Tree Nodes	Not available
Direct Parent	Cucurbitacins
Alternative Parents	Triterpenoids 11-oxosteroids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Acyloins Tertiary alcohols Acryloyl compounds Enones Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Enols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-oxo-delta-1-steroid - 2-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 3-oxosteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha-hydroxy ketone - Tertiary alcohol - Alpha,beta-unsaturated ketone - Cyclic alcohol - Enone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Enol - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Aliphatic homopolycyclic compound
설명	This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
External Descriptors	Cholesterol and derivatives
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

3D 구조

관련 대상(인간)

ITGAL Tclin Integrin alpha-L (1 Activities)

Discover Target: ITGAL

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

ITGAL Tclin Leukocyte adhesion glycoprotein LFA-1 alpha (170 Activities)

Discover Target: ITGAL

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

ATIC Tchem AICAR transformylase (241 Activities)

Discover Target: ATIC

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

A498 (42825 Activities)

Lot Number	Certificate Type	날짜	항목
C2421207	Certificate of Analysis	Jul 03, 2026	C275563
C2421225	Certificate of Analysis	Jul 03, 2026	C275563
C2421201	Certificate of Analysis	Feb 26, 2024	C275563
C2421226	Certificate of Analysis	Feb 26, 2024	C275563

용해성	Soluble in DMSO to 10 mM and ethanol to 10 mM
분자량	514.600 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	514.293 Da
Monoisotopic Mass	514.293 Da
Topological Polar Surface Area	132.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1160.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1