6-hydrazinyl-7H-purine - ≥97% , CAS No.5404-86-4

CAS: 5404-86-4 Cat. No.: H353410 Molecular Weight: 150.14

GRADE & PURITY ≥97%

Synonyms

Purine, 6-hydrazino- | AKOS000192656 | AKOS005177414 | 6-hydrazinyl-9H-purine | 6-hydrazino-7(9)H-purine | RAD 001 | FT-0635674 | (E)-6-hydrazono-6,7-dihydro-1H-purine | 6-Hydrazinopurine | 6-hydrazino-purine | NSC7354 | NSC-7354 | UNII-4PX9EKA7KY | AMY23

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Purine, 6-hydrazino- | AKOS000192656 | AKOS005177414 | 6-hydrazinyl-9H-purine | 6-hydrazino-7(9)H-purine | RAD 001 | FT-0635674 | (E)-6-hydrazono-6, 7-dihydro-1H-purine | 6-Hydrazinopurine | 6-hydrazino-purine | NSC7354 | NSC-7354 | UNII-4PX9EKA7KY | AMY23

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Product Properties

• pKa: pKₐ: 9.88 (Predicted), 3.71 (Predicted)

Names and Identifiers

• Canonical Smiles: C1=NC2=C(N1)C(=NC=N2)NN
• IUPAC Name: 7H-purin-6-ylhydrazine
• InChIKey: IUEISQYNCXVHTJ-UHFFFAOYSA-N
• INCHI: 1S/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11)
• Isomeric SMILES: C1=NC2=C(N1)C(=NC=N2)NN
• Molecular Weight: 150.14
• Reaxy-Rn: 9613
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Pyrimidines and pyrimidine derivatives Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Imidolactam - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Hydrazine derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole 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

Associated Targets(Human)

Huh-7 (12904 Activities)

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

KB (17409 Activities)

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D1.91 (Predicted)
• Boil Point(°C): ~616.9° C at 760 mmHg (Predicted)
• Melt Point(°C): 244-246° C
• Molecular Weight: 150.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 150.065 Da
• Monoisotopic Mass: 150.065 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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. Xiaoyan Zhai, Hussein Hanibah, Nor Zakiah Nor Hashim, Juzheng Zhang, Xianli Ma, Lilan Wei, Xiaoqun Zhou.  (2024)  Synthesis and anti-cancer investigations of copper(II) complexes based on adenine.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.138836]