Propylthiouracil structure, CAS 51-52-5

Propylthiouracil

CAS Number51-52-5

Synonyms6-Propyl-2-thiouracil; T 72; PROTHYRAN; Propylthiouracil [BAN:INN:JAN]; 4-propyl-2-thiouracil; EINECS 200-103-2; 6-n-propyl-2-thiouracil; 6-propyl-2-sulfanylpyrimidin-4-ol; Prothycil; 6-Propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-on; 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone,4-Hydroxy-2-mercapto-6-propylpyrimidine; Thiuragyl; 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one; MFCD00006041; 6-Propyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone; PROPACIL; 6-n-propylthiouracil; 6-propylthiouracil; propylthiouracil; Protiural; PROPYCIL; 2-mercapto-6-propylpyrimidin-4-ol; 4-Hydroxy-2-mercapto-6-propylpyrimidine; PROIL

Molecular FormulaC7H10N2OS

Molecular Weight170.23

Purity≥99 (HPLC)%

Density1.2±0.1 g/cm3

Boiling Point355.2±34.0 °C at 760 mmHg

Melting Point218-220 °C (lit.)

Flash Point

Appearancepowder

EINECS200-103-2

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9008701 Purity: ≥99 (HPLC)%
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Chemical & Physical Properties
CAS Number51-52-5
Catalog No.2A-9008701
Chinese Name丙硫氧嘧啶
Synonyms6-Propyl-2-thiouracil; T 72; PROTHYRAN; Propylthiouracil [BAN:INN:JAN]; 4-propyl-2-thiouracil; EINECS 200-103-2; 6-n-propyl-2-thiouracil; 6-propyl-2-sulfanylpyrimidin-4-ol; Prothycil; 6-Propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-on; 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone,4-Hydroxy-2-mercapto-6-propylpyrimidine; Thiuragyl; 6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one; MFCD00006041; 6-Propyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone; PROPACIL; 6-n-propylthiouracil; 6-propylthiouracil; propylthiouracil; Protiural; PROPYCIL; 2-mercapto-6-propylpyrimidin-4-ol; 4-Hydroxy-2-mercapto-6-propylpyrimidine; PROIL
Molecular FormulaC7H10N2OS
Molecular Weight170.23
Purity≥99 (HPLC)
Density1.2±0.1 g/cm3
Boiling Point355.2±34.0 °C at 760 mmHg
Melting Point218-220 °C (lit.)
Appearancepowder
Water Solubility1.1 g/L
Storage ConditionThis product should be sealed and stored in a cool
ApplicationPropylthiouracil (6-Propyl-2-thiouracil) is an inhibitor of thyroid peroxidase and 5'-deiodinase.
EINECS200-103-2
HTC2933599090
PubChem ID24898446
MDL NumberMFCD00006041
SMILESCCCC1=CC(=O)NC(=S)N1
InChI1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChI KeyKNAHARQHSZJURB-UHFFFAOYSA-N
Beilstein/REAXYS130039
NACRES CodeNA.51
UNSPSC41106305
Hazard SymbolsTransport
Risk CodesR22;R40
Safety DescriptionS36/37;S45
MSDSmsds/8701_1_51_52_5.pdf
BioactivityPropylthiouracil(6-Propyl-2-thiouracil) is a thyroperoxidase and 5'-deiodinase inhibitor. Target: Thyroperoxidase (TPO)Propylthiouracil (PTU) is a thiouracil-derived drug used to treat hyperthyroidism (including Graves' disease) by decreasing the amount of thyroid hormone produced by the thyroid gland [1]. The antithyroid drug 6-propylthiouracil (PTU) was shown to have an unexpectedly prolonged inhibitory effect on iodination in the thyroid glands of rats. Eighteen hours after injection of a relatively small dose, iodination in the thyroid remained inhibited by more than 90% [2]. PTU inhibits the enzyme thyroperoxidase, which normally acts in thyroid hormone synthesis by oxidizing the anion iodide (I-) to iodine (I0), facilitating iodine's addition to tyrosine residues on the hormone precursor thyroglobulin. This is one of the essential steps in the formation of thyroxine (T4). PTU does not inhibit the action of the sodium-dependent iodide transporter located on follicular cells' basolateral membranes. Inhibition of this step requires competitive inhibitors, such as perchlorate and thiocyanate. From Wikipedia. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Endocrinology References [1]. Nakamura, H., et al., Comparison of methimazole and propylthiouracil in patients with hyperthyroidism caused by Graves' disease. J Clin Endocrinol Metab, 2007. 92(6): p. 2157-62. [2]. Taurog, A. and M.L. Dorris, A reexamination of the proposed inactivation of thyroid peroxidase in the rat thyroid by propylthiouracil. Endocrinology, 1989. 124(6): p. 3038-42. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 355.2±34.0 °C at 760 mmHg Melting Point 218-220 °C(lit.) Molecular Formula C7H10N2OS Molecular Weight 170.232 Flash Point 168.6±25.7 °C Exact Mass 170.051376 PSA 80.74000 LogP -0.32 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.601 InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N SMILES CCCc1cc(=O)[nH]c(=S)[nH]1 Storage condition Refrigerator Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases. Light sensitive. Water Solubility 1.1 g/L
Use ofPropylthiouracil(6-Propyl-2-thiouracil) is a thyroperoxidase and 5'-deiodinase inhibitor. Target: Thyroperoxidase (TPO)Propylthiouracil (PTU) is a thiouracil-derived drug used to treat hyperthyroidism (including Graves' disease) by decreasing the amount of thyroid hormone produced by the thyroid gland [1]. The antithyroid drug 6-propylthiouracil (PTU) was shown to have an unexpectedly prolonged inhibitory effect on iodination in the thyroid glands of rats. Eighteen hours after injection of a relatively small dose, iodination in the thyroid remained inhibited by more than 90% [2]. PTU inhibits the enzyme thyroperoxidase, which normally acts in thyroid hormone synthesis by oxidizing the anion iodide (I-) to iodine (I0), facilitating iodine's addition to tyrosine residues on the hormone precursor thyroglobulin. This is one of the essential steps in the formation of thyroxine (T4). PTU does not inhibit the action of the sodium-dependent iodide transporter located on follicular cells' basolateral membranes. Inhibition of this step requires competitive inhibitors, such as perchlorate and thiocyanate. From Wikipedia. Properties Articles57 Name 6-propyl-2-thiouracil Synonym More Synonyms Propylthiouracil Biological Activity Description Propylthiouracil(6-Propyl-2-thiouracil) is a thyroperoxidase and 5'-deiodinase inhibitor. Target: Thyroperoxidase (TPO)Propylthiouracil (PTU) is a thiouracil-derived drug used to treat hyperthyroidism (including Graves' disease) by decreasing the amount of thyroid hormone produced by the thyroid gland [1]. The antithyroid drug 6-propylthiouracil (PTU) was shown to have an unexpectedly prolonged inhibitory effect on iodination in the thyroid glands of rats. Eighteen hours after injection of a relatively small dose, iodination in the thyroid remained inhibited by more than 90% [2]. PTU inhibits the enzyme thyroperoxidase, which normally acts in thyroid hormone synthesis by oxidizing the anion iodide (I-) to iodine (I0), facilitating iodine's addition to tyrosine residues on the hormone precursor thyroglobulin. This is one of the essential steps in the formation of thyroxine (T4). PTU does not inhibit the action of the sodium-dependent iodide transporter located on follicular cells' basolateral membranes. Inhibition of this step requires competitive inhibitors, such as perchlorate and thiocyanate. From Wikipedia. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Endocrinology References [1]. Nakamura, H., et al., Comparison of methimazole and propylthiouracil in patients with hyperthyroidism caused by Graves' disease. J Clin Endocrinol Metab, 2007. 92(6): p. 2157-62. [2]. Taurog, A. and M.L. Dorris, A reexamination of the proposed inactivation of thyroid peroxidase in the rat thyroid by propylthiouracil. Endocrinology, 1989. 124(6): p. 3038-42. Chemical & Physical Properties Molecular Formula C7H10N2OS Exact Mass 170.051376 PSA 80.74000 LogP -0.32 Index of Refraction 1.601 InChIKey KNAHARQHSZJURB-UHFFFAOYSA-N Storage condition Refrigerator Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases. Light sensitive.
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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