6-Amino-7-deazapurine - ≥97% , CAS No.1500-85-2

CAS: 1500-85-2 Cat. No.: A123434 Molecular Weight: 134.14 EC Number: 687-282-4

GRADE & PURITY ≥97%

Synonyms

AKOS005257696 | BB 0260804 | W-201336 | BCP26536 | Oprea1_866451 | 7-Deazaadenine | MFCD01686848 | FT-0650458 | DTXSID1026536 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine | SY005678 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-amino- | AI3-15469 | 6-Amino-7-deazapurine, 97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS005257696 | BB 0260804 | W-201336 | BCP26536 | Oprea1_866451 | 7-Deazaadenine | MFCD01686848 | FT-0650458 | DTXSID1026536 | 7H-Pyrrolo[2, 3-d]pyrimidin-4-amine | SY005678 | 7H-Pyrrolo[2, 3-d]pyrimidine, 4-amino- | AI3-15469 | 6-Amino-7-deazapurine, 97%

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763700
• Canonical Smiles: C1=CNC2=NC=NC(=C21)N
• IUPAC Name: 7H-pyrrolo[2,3-d]pyrimidin-4-amine
• InChIKey: PEHVGBZKEYRQSX-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H3,7,8,9,10)
• Isomeric SMILES: C1=CNC2=NC=NC(=C21)N
• WGK Germany: 2
• RTECS: UY8850000
• Molecular Weight: 134.14
• Reaxy-Rn: 743053
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743053&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Pyrroles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light & Heat & Air & Moisture sensitive
• Melt Point(°C): 257-262°C
• Molecular Weight: 134.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.059 Da
• Monoisotopic Mass: 134.059 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

1. Linlin Su, Binbin Shi, Yixiao Hang, Chensheng Xian, Jin Huang.  (2020)  Construction of multi-functional optical sensing materials based on deazapurine-typed carbon dots.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2020.108994]