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Hydrochlorothiazide-13C6

CAT: 0804-HY-B0252S2-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0252S2-01Size:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydrochlorothiazide-13C6 is the 13C labeled Hydrochlorothiazide[1]. Hydrochlorothiazide (HCTZ), an orally active diuretic agent of the thiazide class, inhibits transforming TGF-β/Smad signaling pathway. Hydrochlorothiazide has direct vascular relaxant effects via opening of the calcium-activated potassium (KCA) channel. Hydrochlorothiazide improves cardiac function, reduces fibrosis and has antihypertensive effect[2][3][4].
CAS Number
1261396-79-5
Product Name Alternative
HCTZ-13C6
UNSPSC
12352005
Hazard Statement
H302
Target
Potassium Channel; TGF-beta/Smad
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Stem Cell/Wnt; TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/hydrochlorothiazide-13c6.html
Purity
99.61
Solubility
10 mM in DMSO
Smiles
O=S1([13C]2=[13CH][13C](S(N)(=O)=O)=[13C](Cl)[13CH]=[13C]2NCN1)=O
Molecular Formula
C 13C6H8ClN3O4S2
Molecular Weight
303.70
Precautions
P264-P270-P330-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Duarte, J.D. and R.M. Cooper-DeHoff, Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther, 2010. 8 (6) : p. 793-802.|[3]Magdy M Abdelquader, et al. Inhibition of Co-Crystallization of Olmesartan Medoxomil and Hydrochlorothiazide for Enhanced Dissolution Rate in Their Fixed Dose Combination. AAPS PharmSciTech. 2018 Dec 1720 (1) :3.|[4]Jinghong Luo, et al. Hydrochlorothiazide modulates ischemic heart failure-induced cardiac remodeling via inhibiting angiotensin II type 1 receptor pathway in rats. Cardiovasc Ther. 2017 Apr35 (2) .
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Hydrochlorothiazide-13C6
CAS Number1261396-79-5
PubChem CID49849729
IUPAC Name6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC7H8ClN3O4S2
Molecular Weight303.7
XLogP-0.1
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity494
SMILES
C1N[13C]2=[13CH][13C](=[13C]([13CH]=[13C]2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)/i1+1,2+1,4+1,5+1,6+1,7+1
InChIKey
JZUFKLXOESDKRF-ZRDHQLPYSA-N
Chemical Structure
2D Structure
2D structure of Hydrochlorothiazide-13C6
CAS: 1261396-79-5
CID: 49849729
Formula: C7H8ClN3O4S2
MW: 303.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.7
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass302.9846048
Monoisotopic Mass302.9846048
Topological Polar Surface Area135 Ų
Heavy Atom Count17
Formal Charge0
Complexity494
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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