1,N⁶-Ethenoadenine - ≥95% , CAS No.13875-63-3

CAS: 13875-63-3 Cat. No.: E338733 분자식: C₇H₅N₅ 분자량: 159.15 Beilstein Registry Number: 1107778

GRADE & PURITY ≥95%

Synonyms

1-N6-ethenoadenine | 1,N6-ETHYLENEADENINE | SIN7411HG7 | 3H-IMIDAZO[2,1-I]PURINE | CHEBI:42173 | 1H-Imidazo(2,1-i)purine | SCHEMBL4997669 | Q27459874 | UNII-SIN7411HG7 | .EPSILON.-ADENINE | 3H-imidazo[1,2-i]purine | imidazo[2,1-i]purine | AKOS006273818 |

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

1,N|6|-Ethenoadenine caused DNA mutations in translesion DNA synthesis systems and in cell culture systems. It is implicated in liver, colon and lung cancers.

Specifications

동의어

1-N6-ethenoadenine | 1,N6-ETHYLENEADENINE | SIN7411HG7 | 3H-IMIDAZO[2,1-I]PURINE | CHEBI:42173 | 1H-Imidazo(2,1-i)purine | SCHEMBL4997669 | Q27459874 | UNII-SIN7411HG7 | .EPSILON.-ADENINE | 3H-imidazo[1,2-i]purine | imidazo[2,1-i]purine | AKOS006273818 |

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

• 정식 스마일: C1=CN2C=NC3=C(C2=N1)NC=N3
• IUPAC Name: 1H-imidazo[2,1-f]purine
• InChIKey: OGVOXGPIHFKUGM-UHFFFAOYSA-N
• INCHI: 1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)
• 이성체 SMILES: C1=CN2C=NC3=C(C2=N1)NC=N3
• WGK 독일: 3
• 분자량: 159.15
• Beilstein: 1107778
• Reaxy-Rn: 26025867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26025867&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Pyrimidines and pyrimidine derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: 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: a small molecule

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

화학 및 물리적 특성

• 용해성: Soluble in water (partly).
• 굴절률: n20D1.96 (Predicted)
• 끓는점(°C): 439.81° C (Predicted)
• 녹는점(°C): 181.50° C (Predicted)
• 분자량: 159.150 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 159.054 Da
• Monoisotopic Mass: 159.054 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 13875-63-3, the molecular formula is C7H5N5, and the molecular weight is 159.15 g/mol. InChIKey OGVOXGPIHFKUGM-UHFFFAOYSA-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.