2-Iminobiotin - ≥98% , CAS No.13395-35-2

CAS: 13395-35-2 Cat. No.: I113701 Formule: C₁₀H₁₇N₃O₂S Poids moléculaire: 243.33 Beilstein Registry Number: 18952 PubChem CID: 128878

GRADE & PURITY ≥98%

Synonyms

CCRIS 3972 | 5-((3aR,6S,6aS)-2-Amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanoic acid | 5-((3AS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid | 2-Iminobiotin, >=98% (TLC) | HXH71NRQ5C | FLOCTAFENINE [IN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

2-Iminobiotin is a cyclic guanidino analog of biotin that has high affinity for avidin at high pH (>9) and low affinity at low pH (<6). The proteins that are iminobiotinylated are selectively contained within the avidin column at pH 9 to 11 and may be eluted at pH 4 or by the addition of biotin. This technique may be very useful in the study of cell surface proteins by labeling and selectively recovering the components that are periodate-sensitive from intact human erythrocyte surface.2-Iminobiotin reversibly inhibits NOS (nitric oxide synthases) via its guanidino group. It inhibits NO biosynthesis and may be important to understand the binding-site interactions for this important class of enzymes. NOS oxidizes the guanidino-nitrogen of L-arginine to produce nitric oxide and L-citrulline
A reversible inhibitor of mouse NOS2 (iNOS) and rat NOS1 (nNOS)

Specifications

Synonymes

CCRIS 3972 | 5-((3aR,6S,6aS)-2-Amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanoic acid | 5-((3AS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid | 2-Iminobiotin, >=98% (TLC) | HXH71NRQ5C | FLOCTAFENINE [IN

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504756995

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756995

Sourires canoniques

C1C2C(C(S1)CCCCC(=O)O)N=C(N2)N

IUPAC Name

5-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

InChIKey

WWVANQJRLPIHNS-ZKWXMUAHSA-N

INCHI

1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1

Isomères SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)N=C(N2)N

WGK Allemagne

3

PubChem CID

128878

Poids moléculaire

243.33

Beilstein

18952

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines Medium-chain fatty acids Thia fatty acids Heterocyclic fatty acids Thiophenes Thiolanes Imidazolidines Guanidines Azacyclic compounds Carboximidamides Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Medium-chain fatty acid - Heterocyclic fatty acid - Thia fatty acid - Fatty acid - Fatty acyl - Imidazolidine - Thiolane - Thiophene - Guanidine - Azacycle - Dialkylthioether - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Imine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• External Descriptors: Not available

Data sources

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in 0.1N hydrochloric acid.
• Poids moléculaire: 243.330 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 243.104 Da
• Monoisotopic Mass: 243.104 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 308.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13395-35-2, the molecular formula is C10H17N3O2S, and the molecular weight is 243.33 g/mol. InChIKey WWVANQJRLPIHNS-ZKWXMUAHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.