CAS Number91-33-8
SynonymsLemazide; benzotiazide; Exna; Benzothiazide; 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ<sup>6</sup>,2,4-benzothiadiazine-7-sulfonamide; Benzthiazidum; EINECS 202-061-0; MFCD00078969; Freeuril; Aquatag; Dihydrex; Diucen; Benzotiazida
Molecular FormulaC15H14ClN3O4S3
Molecular Weight431.94
Purity98.00%%
Density1.4176 (rough estimate)
Boiling Point680.6 °C at 760 mmHg
Melting Point231-232° (U.S. patent); mp 238-239° (P'an)
Appearancesolid
EINECS202-061-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 91-33-8 |
| Catalog No. | 2A-9093662 |
| Chinese Name | 苄噻嗪 |
| Synonyms | Lemazide; benzotiazide; Exna; Benzothiazide; 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ<sup>6</sup>,2,4-benzothiadiazine-7-sulfonamide; Benzthiazidum; EINECS 202-061-0; MFCD00078969; Freeuril; Aquatag; Dihydrex; Diucen; Benzotiazida |
| Molecular Formula | C15H14ClN3O4S3 |
| Molecular Weight | 431.94 |
| Purity | 98.00% |
| Density | 1.4176 (rough estimate) |
| Boiling Point | 680.6 °C at 760 mmHg |
| Melting Point | 231-232° (U.S. patent); mp 238-239° (P'an) |
| Appearance | solid |
| Storage Condition | room temperature |
| Application | Benzthiazide is a long-acting diuretic [1] and antihypertensive agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Ki values of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1 respectiv |
| EINECS | 202-061-0 |
| HTC | 2935009090 |
| PubChem ID | 57653955 |
| MDL Number | MFCD00078969 |
| SMILES | NS(=O)(=O)c1cc2c(NC(CSCc3ccccc3)=NS2(=O)=O)cc1Cl |
| InChI | 1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21) |
| InChI Key | NDTSRXAMMQDVSW-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/93662_1_91_33_8.pdf |
| Bioactivity | Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Carbonic Anhydrase Research Areas >> Cardiovascular Disease Target Ki: 8.0 nM (CA9), 8.8 nM (CA2), 10 nM (CA1)[2] In Vitro Benzthiazide (0.4, 2, 10 μM) suppresses proliferation of cancer cell under hypoxic conditions in a dose-dependent manner . Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively[2]. In Vivo Benzthiazide (1, 1.5 mg/100 g BW) causes a marked decrease in urinary calcium excretion and the dissociation of calcium and sodium excretion in hyperprolactinemic rats[1]. References [1]. Adler RA, et al. Hypercalciuria in hyperprolactinemic rats: effects of benzthiazide. Metabolism. 1986 Jul;35(7):668-72. [2]. Lee HS, et al. Rational drug repositioning guided by an integrated pharmacological network of protein, disease and drug. BMC Syst Biol. 2012 Jul 2;6:80. Chemical & Physical Properties Density 1.4176 (rough estimate) Boiling Point 680.6 °C at 760 mmHg Melting Point 231-232° (U.S. patent); mp 238-239° (P'an) Molecular Formula C15H14ClN3O4S3 Molecular Weight 431.93700 Flash Point 365.4 °C Exact Mass 430.98300 PSA 160.75000 LogP 4.86900 Index of Refraction 1.6100 (estimate) InChIKey NDTSRXAMMQDVSW-UHFFFAOYSA-N SMILES NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCc1ccccc1)=NS2(=O)=O |
| Use of | Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2]. Properties Name benzthiazide Synonym More Synonyms Benzthiazide Biological Activity Description Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Carbonic Anhydrase Research Areas >> Cardiovascular Disease Ki: 8.0 nM (CA9), 8.8 nM (CA2), 10 nM (CA1)[2] In Vitro Benzthiazide (0.4, 2, 10 μM) suppresses proliferation of cancer cell under hypoxic conditions in a dose-dependent manner . Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively[2]. References [1]. Adler RA, et al. Hypercalciuria in hyperprolactinemic rats: effects of benzthiazide. Metabolism. 1986 Jul;35(7):668-72. [2]. Lee HS, et al. Rational drug repositioning guided by an integrated pharmacological network of protein, disease and drug. BMC Syst Biol. 2012 Jul 2;6:80. Chemical & Physical Properties Exact Mass 430.98300 PSA 160.75000 LogP 4.86900 Index of Refraction 1.6100 (estimate) InChIKey NDTSRXAMMQDVSW-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 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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