Vallesiachotamine , CAS No.5523-37-5

CAS: 5523-37-5 Cat. No.: V651062 分子式: C21H22N2O3 分子量: 350.41 PubChem CID: 5384527
注文可能
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
USA
ドイツ (EU)*
Price
Qty
1mg
V651062-1mg
受注生産 · 8~12週間
$620.90
5mg
V651062-5mg
受注生産 · 8~12週間
$1,870.90
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Why this grade

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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Vallesiachotamine, a known monoterpene indole alkaloid, possesses anti-tumor activity.

In Vitro

Vallesiachotamine induces G0/G1 arrest and increased the proportion of sub-G1 hypodiploid cells (at 11 μM and 22 μM) and this effect is not dependent on time of incubation. Vallesiachotamine acts by promoting G0/G1 cell cycle arrest, apoptosis and necrosis. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

生化学的・生理学的メカニズム
Vallesiachotamine, a known monoterpene indole alkaloid, possesses anti-tumor activity.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子
カノニカル・スマイル
CC=C(C=O)C1CC2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3
IUPAC Name
methyl (2S,12bS)-2-[(E)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
InChIKey
NTVLUSJWJRSPSM-JXSBNBLESA-N
INCHI
1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19-/m0/s1
異性体SMILES
C/C=C(/C=O)\[C@@H]1C[C@H]2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3
PubChem CID
5384527
NSC番号
338699
MeSH用語
vallesiachotamine
分子量
350.41

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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Indoles and derivatives
SubclassPyridoindoles
Intermediate Tree Nodes Not available
Direct ParentBeta carbolines
Alternative Parents 3-alkylindoles  Quinolizines  Aralkylamines  Tetrahydropyridines  Benzenoids  Vinylogous amides  Pyrroles  Enals  Enoate esters  Heteroaromatic compounds  Methyl esters  Amino acids and derivatives  Trialkylamines  Enamines  Allylamines  Azacyclic compounds  Monocarboxylic acids and derivatives  Aldehydes  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Beta-carboline - Quinolizine - 3-alkylindole - Indole - Aralkylamine - Tetrahydropyridine - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Pyrrole - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Allylamine - Enamine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Aldehyde - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量350.400 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass350.163 Da
Monoisotopic Mass350.163 Da
Topological Polar Surface Area62.400 Ų
Heavy Atom Count26
Formal Charge0
Complexity641.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
ソリューション計算機
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