AMT hydrochloride - ≥98% , CAS No.21463-31-0

CAS: 21463-31-0 Cat. No.: A287779 Fórmula: C₅H₁₀N₂S.HCl Peso molecular: 166.67

GRADE & PURITY ≥98%

Synonyms

SMR000326965 | EU-0100085 | CCG-221389 | J-014084 | 2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine hydrochloride | NCGC00260770-01 | MLS000862202 | WAA46331 | AMTHYDROCHLORIDE | AMT hydrochloride | AMT (hydrochloride) | 6-methyl-5,6-dihydro-4H-1,3-thiazin-2

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SMR000326965 | EU-0100085 | CCG-221389 | J-014084 | 2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine hydrochloride | NCGC00260770-01 | MLS000862202 | WAA46331 | AMTHYDROCHLORIDE | AMT hydrochloride | AMT (hydrochloride) | 6-methyl-5,6-dihydro-4H-1,3-thiazin-2

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Potent, selective and reversible inhibitor of iNOS (IC50= 3.6 nM; approximately 30 and 40 times selective over nNOS and eNOS respectively).

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528763100
• Sorrisos canónicos: CC1CCN=C(S1)N.Cl
• IUPAC Name: 6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
• InChIKey: HVJCRMIQAMEJNM-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2S.ClH/c1-4-2-3-7-5(6)8-4;/h4H,2-3H2,1H3,(H2,6,7);1H
• SMILES isoméricas: CC1CCN=C(S1)N.Cl
• Peso molecular: 166.67
• Reaxy-Rn: 5390939
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5390939&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiazines
      • Subclass 1,3-thiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiazines
• Subclass: 1,3-thiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-thiazines
• Alternative Parents: Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-thiazine - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 3 respectively, as well as two double bonds.
• 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

Alvos associados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Alvos associados (não humanos)

RAW264.7 (28094 Activities)

Explore this target

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

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 10
• Peso molecular: 166.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.033 Da
• Monoisotopic Mass: 166.033 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referências

1. Chaoli Tang, Dachao Fu, Rujing Wang, Xiaoyu Zhang, Liman Wei, Mingjun Li, Chengpan Li, Qiao Cao, Xiangyu Chen.  (2024)  An Electrochemical Microfluidic System for On-site Continuous Monitoring of Soil Phosphate.  IEEE SENSORS JOURNAL,      [PMID:] [10.1109/JSEN.2023.3348807]