Name: BIO 1211 - Moligand™, ≥98% , Inhibitor of integrin α4β1, CAS No.187735-94-0, Inhibitor of integrin α4β1
SKU: B288747
Availability: InStock

BIO 1211 - Moligand™, ≥98% , Inhibitor of integrin α4β1, CAS No.187735-94-0, Inhibitor of integrin α4β1

CAS: 187735-94-0 Cat. No.: B288747 分子式: C₃₆H₄₈N₆O₉ 分子量: 708.8 PubChem CID: 9961766

イメージギャラリーの最後に移動する

BIO 1211 - Moligand™, ≥98% CAS No(187735-94-0) by Aladdin Scientific

イメージギャラリーの最初に移動する

注文可能

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

AKOS024457866 | SCHEMBL1223367 | BDBM50074661 | MS-31193 | Q27075284 | (S)-1-{(S)-2-[3-Carboxy-2-((1S,5S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid | L-PROLINE,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

🧪

Why this grade

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

🌡

Storage & shipping

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

📋

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.

Specifications

同義語

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Selective, high affinityα4β1(Very Late Antigen 4; VLA-4) inhibitor; displays 200-fold selectivity for the activated form ofα4β1(KD= 70 pM; IC50= 0.004μM). Selective forα4β1over a range of other integrins (IC50>100μM forα1β1,α5β1andα6β1).

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。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of integrin α4β1

純度

≥98%

名前と識別子

パブケム・シド	504765159
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/504765159
カノニカル・スマイル	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O
IUPAC Name	(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
InChIKey	NVVGCQABIHSJSQ-KFZSMJGVSA-N
INCHI	1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
異性体SMILES	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O
PubChem CID	9961766
分子量	708.8

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 Organic acids and derivatives
  - 分類 Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Oligopeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
分類	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Oligopeptides
Alternative Parents	Aspartic acid and derivatives Leucine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides N-phenylureas Phenylacetamides N-acylpyrrolidines Pyrrolidine carboxylic acids Toluenes N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Ureas Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-oligopeptide - Aspartic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Valine or derivatives - Alpha-amino acid amide - Phenylacetamide - N-substituted-alpha-amino acid - N-phenylurea - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acylpyrrolidine - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Urea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - 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
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

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Reconstitution Calculator

レビュー

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

Lot Number	Certificate Type	日付	商品
K2315416	Certificate of Analysis	Aug 04, 2026	B288747
K2315434	Certificate of Analysis	Aug 04, 2026	B288747
K2315439	Certificate of Analysis	Aug 04, 2026	B288747
K2315440	Certificate of Analysis	Aug 04, 2026	B288747
K2315445	Certificate of Analysis	Aug 04, 2026	B288747
K2315446	Certificate of Analysis	Aug 04, 2026	B288747
K2315447	Certificate of Analysis	Aug 04, 2026	B288747

溶解度	Soluble to 2 (mg/mL) in water
感度	Moisture sensitive
分子量	708.800 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Exact Mass	708.348 Da
Monoisotopic Mass	708.348 Da
Topological Polar Surface Area	223.000 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1250.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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