ククルビタシンI - ≥98% , CAS No.2222-07-3

Name: ククルビタシンI - ≥98% , CAS No.2222-07-3
SKU: C275563
Availability: InStock

CAS: 2222-07-3 Cat. No.: C275563 分子式: C₃₀H₄₂O₇ 分子量: 514.66 EC番号: 218-736-8

COA

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ククルビタシンI - ≥98% CAS No(2222-07-3) by Aladdin Scientific

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注文可能

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

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

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

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Storage & shipping

20℃で保存 Ships アイスチェスト＋アイスパッド 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.

概要

天然化合物であるククルビタシンIは、JAK2/STAT3を選択的に阻害し、抗癌活性を有する。

Specifications

同義語

仕様と純度

≥98%

生化学的・生理学的メカニズム

STAT3/JAK2シグナル伝達経路の選択的阻害薬。STAT3とJAK2の活性化を阻害する。Src、Akt1、ERK、JNKには不活性。動物モデルにおいてSTAT3が構成的に活性化した腫瘍の成長を抑制する。膠芽細胞の浸潤と血管新生を抑制する。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%

名前と識別子

パブケム・シド	528775566
カノニカル・スマイル	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
異性体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
分子量	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.

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 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
  - 分類 Steroids and steroid derivatives
    - Subclass Cucurbitacins

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
分類	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
説明	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

3 D構造

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A498 (42825 Activities)

Lot Number	Certificate Type	日付	商品
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

溶解度	Soluble in DMSO to 10 mM and ethanol to 10 mM
分子量	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