(2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid - Moligand™ , Inhibitor of NG;NG-Dimethylarginine dimethylaminohydrolase 1, CAS No.S609058, Inhibitor of NG;NG-Dimethylarginine dimethylaminohydrolase 1

CAS: S609058 Cat. No.: S609058 PubChem CID: 447181
AVAILABLE TO ORDER
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.
Synonyms
L-VNIO | vinyl-L-NIO | compound 2e
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
S609058-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
S609058-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
L-VNIO | vinyl-L-NIO | compound 2e
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of NG;NG-Dimethylarginine dimethylaminohydrolase 1
Names and Identifiers
Canonical SmilesNC(=NCCC[C@@H](C(=O)O)N)CC=C
IUPAC Name(2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid
InChIKeyLMDRHVQXMBGSGU-ZETCQYMHSA-N
INCHI1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1
Isomeric SMILES C=CCC(=NCCC[C@@H](C(=O)O)N)N
PubChem CID 447181

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
Direct ParentL-alpha-amino acids
Alternative Parents Amino acids  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Carboximidamides  Carboxamidines  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents L-alpha-amino acid - Amino acid - Amidine - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DDAH1 Tchem N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NOS1 Tchem Nitric oxide synthase, brain (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight199.250 g/mol
XLogP3-2.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass199.132 Da
Monoisotopic Mass199.132 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count14
Formal Charge0
Complexity226.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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