2'-데옥시시티딘일수화물

한글명:2'-데옥시시티딘일수화물

카스 번호951-77-9

상품명:2'-Deoxycytidine

CBNumberCB7452978

분자식C9H13N3O4

포뮬러 무게227.22

MOL 파일951-77-9.mol

동의어(한글)

2'-데옥시시티딘일수화물

화학적 성질

녹는점	209-211 °C(lit.)
끓는 점	368.93°C (rough estimate)
밀도	1.3171 (rough estimate)
굴절률	59 ° (C=1, H2O)
저장 조건	-20°C
용해도	H₂O: 50 mg/mL, 투명, 무색
물리적 상태	결정성 분말
산도 계수 (pKa)	14.03±0.60(Predicted)
색상	하얀색
수소이온지수(pH)	4.3
수용성	물에 불용성, DMSO.
최대 파장(λmax)	280 (pH 1)；271 (pH 7)
BRN	87567
InChI	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
InChIKey	CKTSBUTUHBMZGZ-SHYZEUOFSA-N
SMILES	OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O
CAS 데이터베이스	951-77-9(CAS DataBase Reference)
NIST	Deoxycytidine(951-77-9)
EPA	Cytidine, 2'-deoxy- (951-77-9)

위험 및 안전 성명

안전지침서

24/25

WGK 독일

RTECS 번호

HA3800000

F 고인화성물질

TSCA

Yes

HS 번호

29349990

NFPA 704:

	0
1		0

그림문자(GHS)

2'-데옥시시티딘일수화물 MSDS

2'-데옥시시티딘일수화물 화학적 특성, 용도, 생산

화학적 성질
White crystalline powder
용도
A deoxyribonucleoside
정의
ChEBI: A pyrimidine 2'-deoxyribonucleoside having cytosine as the nucleobase.
일반 설명
2′-Deoxycytidine (deoxyC) is one of the deoxynucleosides containing cytosine as the nucleobase. It is found in the blood, feces, and urine.
Cytotoxicity
JC-1 staining was performed to determine the cytotoxic effect of 2-DC on UC-MSCs. UC-MSCs were cultured in complete DMEM and treated with the different concentrations (10, 20, 40, 60, 80, and 100 μM) of 2-DC for 24 h. Unlabeled MSCs were used as a negative control, while MSCs labelled only with JC-1 stain were used for calibrating the instrument and optimizing the protocol. Cells were harvested, washed, and stained with JC-1 dye for 15 min at 37 °C. Cells were washed with PBS and resuspended in PBS. Analysis was performed through fow cytometry. Data was acquired and analyzed using BD CellQuest pro software. UC-MSCs treated with different concentrations of 2-DC and stained with JC-1 dye showed that 2-DC did not have any significant cytotoxic effect at any of these concentrations[1].
Safety Profile
Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Purification Methods
Purify 2'-deoxycytidine by recrystallisation from MeOH/Et2O or EtOH and dry it in air. [NMR: Miles J Am Chem Soc 85 1007 1963, UV: Fox & Shugar Biochim Biophys Acta 9 369 1952.] The hydrochloride crystallises from H2O/EtOH and has m 174o(dec, 169-173o). [Walker & Butler Can J Chem 34 1168 1956.] The picrate has m 208o(dec). [Fox et al. J Am Chem Soc 83 4066 1961, Beilstein 25 III/IV 3662.]
Structure and conformation
2'-Deoxycytidine monohydrate (dCMP) is a nucleoside phosphate in being comprised of a deoxyribonucleoside and one phosphate group. It has a deoxyribose as its sugar constituent with one phosphate group attached. Its nucleoside contains a pyrimidine base, i.e., a cytosine attached to the deoxyribose sugar. It has only one phosphate group attached to the nucleoside. Its conjugate acid form is deoxycytidylic acid, whereas its conjugate base form is deoxycytidylate. dCMP, instead of having a hydroxyl group on the 2′ carbon of the sugar component as it is in Cytidine monophosphate (CMP), has it reduced to a hydrogen atom (thus, deoxy- in its name). dCMP is one of the monomeric units that constitute DNA, whereas CMP is one of the monomeric units that make up RNA.

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