ADH-1 - Moligand™, ≥99% , CAS No.229971-81-7

CAS: 229971-81-7 Cat. No.: A646143 分子式: C22H34N8O6S2 分子量: 570.69
注文可能
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
C518575000 | ADH 1 | 229971-81-7 (free base) | HY-13541 | Exherin free base | Q4651113 | (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide | A
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
Size
USA
ドイツ (EU)*
Price
Qty
5mg
A646143-5mg
受注生産 · 8~12週間

$36.90

$55.90
保存 $19.00 (33.99%)
10mg
A646143-10mg
受注生産 · 8~12週間

$65.90

$98.90
保存 $33.00 (33.37%)
25mg
A646143-25mg
受注生産 · 8~12週間

$142.90

$214.90
保存 $72.00 (33.50%)
50mg
A646143-50mg
受注生産 · 8~12週間

$256.90

$385.90
保存 $129.00 (33.43%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Desiccated 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.

📚

Literature proof

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

概要

ADH-1, an N-cadherin antagonist, inhibits N-cadherin mediated cell adhesion.

In Vitro

ADH-1 (0.2 mg/mL) blocks collagen I-mediated changes in pancreatic cancer cells, and is highly effective at preventing cell motility that is induced by expression of N-cadherin. ADH-1 (0, 0.1, 0.2, 0.5 and 1.0 mg/mL) induces apoptosis in a dose-dependent and N-cadherin-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ADH-1 (50 mg/kg) significantly prevents tumor growth and metastasis in a mouse model for pancreatic cancer. ADH-1 prevents tumor cell invasion and metastasis in an orthotopic model for pancreatic cancer using N-cadherin overexpressing BxPC-3 cells . ADH-1, at the dosages evaluated, does not display either antiangiogenic activity in a rat aortic ring assay or antitumor potential in a PC3 subcutaneous xenograft tumor model. ADH-1 (10 mL/kg, i.p.) augmentation of melanoma tumor growth is overcome through its ability to make regionally infused melphalan more effective. ADH-1 mediated augmentation of melanoma tumor growth is not altered by regionally infused temozolomide. In A375, but not DM443 xenografts, ADH-1 treatment increases phosphorylation of AKT at serine 473. ADH-1 slightly diminishes N-cadherin expression in both xenografts. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

同義語
C518575000 | ADH 1 | 229971-81-7 (free base) | HY-13541 | Exherin free base | Q4651113 | (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide | A
仕様と純度
Moligand™, ≥99%
生化学的・生理学的メカニズム
ADH-1, an N-cadherin antagonist, inhibits N-cadherin mediated cell adhesion.
保管条件
Store at -20°C,Desiccated
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。
等級
Moligand™
純度
≥99%
名前と識別子
カノニカル・スマイルCC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C
IUPAC Name(4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
InChIKeyFQVLRGLGWNWPSS-BXBUPLCLSA-N
INCHI1S/C22H34N8O6S2/c1-10(2)17-22(36)29-15(18(23)32)7-37-38-8-16(27-12(4)31)21(35)28-14(5-13-6-24-9-25-13)20(34)26-11(3)19(33)30-17/h6,9-11,14-17H,5,7-8H2,1-4H3,(H2,23,32)(H,24,25)(H,26,34)(H,27,31)(H,28,35)(H,29,36)(H,30,33)/t11-,14-,15-,16-,17-/m0/s1
異性体SMILES C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C
分子量 570.69

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
SuperclassOrganic acids and derivatives
分類Carboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentOligopeptides
Alternative Parents Cyclic peptides  N-acyl-alpha amino acids and derivatives  Macrolactams  Imidazoles  Heteroaromatic compounds  Acetamides  Secondary carboxylic acid amides  Primary carboxylic acid amides  Organic disulfides  Lactams  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Azole - Imidazole - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organic disulfide - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
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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
溶解度DMSO : 250 mg/mL (438.07 mM; Need ultrasonic)
感度Moisture sensitive.
分子量570.700 g/mol
XLogP3-1.700
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass570.204 Da
Monoisotopic Mass570.204 Da
Topological Polar Surface Area268.000 Ų
Heavy Atom Count38
Formal Charge0
Complexity907.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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