Cytosine - Moligand™, 10mM in DMSO , CAS No.71-30-7

CAS: 71-30-7 Cat. No.: C425633 Formula: C₄H₅N₃O Molecular Weight: 111.1 Beilstein Registry Number: 2637 EC Number: 200-749-5

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

AC-2489 | Lamivudine impurity c rs | LAMIVUDINE IMPURITY E (EP IMPURITY) | EC 200-749-5 | LAMIVUDINE IMPURITY C (USP IMPURITY) | 2-Pyrimidinol, 1,4-dihydro-4-imino-, (Z)- (9CI) | UNII-8J337D1HZY | 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-, (Z)- (9CI) | 4-a

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

application：

Cytosine has been used:

for the preparation of nucleobase solutions

as a standard for high-performance liquid chromatography (HPLC)

for the estimation of global methylation rate

for nucleoside 5′-triphosphate (NTP) synthesis

purification

Specifications

Synonyms

AC-2489 | Lamivudine impurity c rs | LAMIVUDINE IMPURITY E (EP IMPURITY) | EC 200-749-5 | LAMIVUDINE IMPURITY C (USP IMPURITY) | 2-Pyrimidinol, 1,4-dihydro-4-imino-, (Z)- (9CI) | UNII-8J337D1HZY | 2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-, (Z)- (9CI) | 4-a

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Nucleoside. Pyrimidine derivative. One of the four main bases found in DNA and RNA, along with adenine, guanine, and thymine (uracil in RNA). Cytosine reagent is used in a wide variety of research applications, as an enzyme substrate or precursor of effec

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Names and Identifiers

Pubchem Sid

528774978

Canonical Smiles

C1=C(NC(=O)N=C1)N

IUPAC Name

6-amino-1H-pyrimidin-2-one

InChIKey

OPTASPLRGRRNAP-UHFFFAOYSA-N

INCHI

1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

Isomeric SMILES

C1=C(NC(=O)N=C1)N

WGK Germany

1

RTECS

UW7350150

Molecular Weight

111.1

Beilstein

2637

Reaxy-Rn

606406

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Aminopyrimidine - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: a pyrimidine-related compound - a pyrimidine base

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)

DCK Tchem Deoxycytidine kinase (530 Activities)

Discover Target: DCK

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

L1210 (27553 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 300°C
• Molecular Weight: 111.100 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.043 Da
• Monoisotopic Mass: 111.043 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 170.000
• 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