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1-METHYLADENINE

1-METHYLADENINE structure

CAS No:
5142-22-3
Formula:
C6H7N5
Chemical Name:
1-METHYLADENINE
Synonyms:
6-amino-1-methylpurine;6-Amino-1-methylpurine, Spongopurine;1-Methyl-1H-purin-6-amine;1-Methyladenine,99%;1-Methyladenine, 99% 25MG;1-Methyladenine, 98+%;Spongopurine;1H-Purin-6-amine,1-methyl-
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

1-Methyladenine is a product of alkylation damage in DNA which can be repaired by damage reversal by oxidative demethylation.

1-methyladenine is adenine substituted with a methyl group at position N-1. It has a role as a metabolite.

Pale yellow or beige crystalline powder

1-METHYLADENINE Basic Attributes

Molecular Weight：

149.15

Exact Mass：

149.15

EC Number：

225-907-0

UNII：

98K2TG3E3W

NSC Number：

70896

DSSTox ID：

DTXSID20199405

Color/Form：

Pale yellow or beige

HScode：

29335995

Characteristics

PSA：

69.6

XLogP3：

0.52670

Appearance：

Pale yellow or beige Crystalline Powder

Density：

1.1798 (rough estimate)

Melting Point：

300 °C

Boiling Point：

260.22°C (rough estimate)

Flash Point：

99ºC

Refractive Index：

1.8070 (estimate)

Water Solubility：

Water: 5.2 mg/mL (34.86 mM; ultrasonic and warming and heat to 80°C)

Storage Conditions：

-20°C

Vapor Pressure：

1.60e-12 mmHg

PKA：

9.18±0.20(Predicted)

Collision Cross Section：

128.35 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|130.97 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|130.5 Å² [M-H]-

Critical Temperature & Pressure：

-20°C

Safety Information

hazard class code：

safety instructions：

24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1-methyladenine

1-METHYLADENINE Use and Manufacturing

1-Methyladenine is an alkylated version of Adenine. When inserted into DNA, it is cytotoxic and mutagenic. In starfish oocytes, it is a maturation-inducing hormone.

Computed Properties

Molecular Weight:149.15
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:149.07014524
Monoisotopic Mass:149.07014524
Topological Polar Surface Area:68.1
Heavy Atom Count:11
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-METHYLADENINE

CAS No.: 5142-22-3

Content: 99.00%

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Guide of 1-METHYLADENINE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-METHYLADENINE

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