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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,1-b-D-arabinofuranosyl-5-methyl-
96638-29-8 structure

2,4(1H,3H)-Pyrimidinedione,1-b-D-arabinofuranosyl-5-methyl-

CAS No.:96638-29-8
Molecular Formula:C7H11KO5S (isomer)
Names and Identifiers
Synonyms

1 beta-d-arabinofuranosylthymine 1-((2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1h,3h)-dione 1-((2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1h,3h)-dione 1-((2r,3s,5r)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione 1-(b-d-arabinofuranosyl)thymine 1-(beta-d-arabinofuranosyl)thymine 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-methylpyrimidin-2-one 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3h-pyrimidine-2,4-dione 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione 1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione 1-b-DArabinofuranosylthymine 1-b-D-Arabinofuranosylthymine 1-beta-d-arabinofuranosyl-5-methyl-(1h,3h)-pyrimidine-2,4-dione 1-beta-d-arabinofuranosylthymine 1-β-D-Arabinofuranosylthymine 2,4(1h,3h)-pyrimidinedione, 1-.beta.-d-arabinofuranosyl-5-methyl- 2,4(1h,3h)-pyrimidinedione, 1-beta-d-arabinofuranosyl-5-methyl- 2,4(1h,3h)-pyrimidinedione, 1-beta-d-arabinofuranosyl-5-methyl- (9ci) 4-24-00-01308 (beilstein handbook reference) 5-Methylarabinosyluracil 605t232 AC1L22H7 AN-21601 arabinofuranosylthymine arabinosylthymine Ara-T bdbm50132291 BG01237370 brn 0090166 c-16067 C16744 cc-35044 chebi:80699 chembl103283 CTK8G3460 einecs 210-083-7 FT-0602323 FT-0632512 KB-61724 LS-153798 mfcd00065474 NS9U4BEG7Y nsc 68929 SCHEMBL1619684 spongothymidin spongothymidine thymine arabinoside thymine, 1-.beta.-d-arabinofuranoside thymine, 1-beta-d-arabinofuranosyl- thymine, 1-beta-d-arabinofuranosyl- (van) thymine, 1-beta-d-arabinofuranosyl- (van) (8ci) Thymine,1-b-D-arabinofuranosyl-(6CI,7CI,8CI) Thyminearabinoside thymine-b-d-arabinofuranoside thymine-beta-d -arabinofuranoside unii-ns9u4beg7y ZINC5765081

Properties
Density
1.44
Flash Point
263.3°C
Storage temp
2-8°C
Safety and Handling
Safety Statements
RIDADR 3172WGK Germany - HazardClass 6.1(a)PackingGroup I
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XP2100200
CHEMICAL NAME :
Thymine, 1-beta-D-arabinofuranosyl-
CAS REGISTRY NUMBER :
605-23-2
BEILSTEIN REFERENCE NO. :
0090166
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H14-N2-O6
MOLECULAR WEIGHT :
258.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>15 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
7100 ug/L
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 23,141,1978
PackingGroup
I
Transport
3172
Specification

The Thymine 1-beta-D-arabinofuranoside, with CAS registry number 605-23-2, has the systematic name of 1-(β-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione. And the chemical formula of this chemical is C10H14N2O6. This chemical should be stored at the temperature of 2-8°C. What's more, its EINECS is 210-083-7.

Physical properties of Thymine 1-beta-D-arabinofuranoside: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.63; (8)ACD/KOC (pH 7.4): 6.51; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.54 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 57.43 cm3; (15)Molar Volume: 163.7 cm3; (16)Polarizability: 22.76×10-24cm3; (17)Surface Tension: 75.9 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1NC(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)[C@@H]2O)CO
(2)InChI: InChI=1/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
(3)InChIKey: DWRXFEITVBNRMK-JAGXHNFQBG
(4)Std. InChI: InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1
(5)Std. InChIKey: DWRXFEITVBNRMK-JAGXHNFQSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 10gm/kg (10000mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 17, Pg. 109, 1980.
mouse LD50 intravenous > 200mg/kg (200mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 17, Pg. 109, 1980.
mouse LD50 oral > 15gm/kg (15000mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 17, Pg. 109, 1980.
mouse LD50 subcutaneous 7500mg/kg (7500mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 17, Pg. 109, 1980.

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