6，7-Dimethyl-5，6，7，8-tetrahydropterine hydrochloride - ≥95% , CAS No.945-43-7

CAS: 945-43-7 Cat. No.: D300994 Molecular Weight: 231.68 EC Number: 213-413-8

GRADE & PURITY ≥95%

Synonyms

2-amino-6,7-dimethyl-3,4,5,6,7,8-hexahydropteridin-4-one hydrochloride | AS-73417 | DMPH4 | 2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4(1H)-one hydrochloride | 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride | AKOS015902838 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-amino-6, 7-dimethyl-3, 4, 5, 6, 7, 8-hexahydropteridin-4-one hydrochloride | AS-73417 | DMPH4 | 2-amino-6, 7-dimethyl-5, 6, 7, 8-tetrahydropteridin-4(1H)-one hydrochloride | 2-amino-6, 7-dimethyl-5, 6, 7, 8-tetrahydro-3H-pteridin-4-one;hydrochloride | AKOS015902838 |

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

合成的还原蝶呤辅因子，用于一氧化氮合成酶，还用于苯丙氨酸、酪氨酸以及色氨酸羟化酶；活性低于天然辅因子四氢生物蝶呤 (BH4)。

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504773313
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773313
• Canonical Smiles: CC1C(NC2=C(N1)C(=O)NC(=N2)N)C.Cl
• IUPAC Name: 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
• InChIKey: GIHYTRGUZVYCQX-UHFFFAOYSA-N
• INCHI: 1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H
• Isomeric SMILES: CC1C(NC2=C(N1)C(=O)NC(=N2)N)C.Cl
• WGK Germany: 3
• Molecular Weight: 231.68
• Reaxy-Rn: 4163890
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pteridines and derivatives
      • Subclass Pterins and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pteridines and derivatives
• Subclass: Pterins and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pterins and derivatives
• Alternative Parents: Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pterin - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azacycle - Secondary amine - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 231.680 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 231.089 Da
• Monoisotopic Mass: 231.089 Da
• Topological Polar Surface Area: 91.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3