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ZT-1a - 99%, high purity , CAS No.212135-62-1

COA

Grade & Purity:

≥99%

Cas Number: 212135-62-1
Molecular Weight: 445.73
PubChem CID: 10789506

In stock

Item Number

Z646367

Grouped product items
SKU	Size	Availability	Price
Z646367-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
Z646367-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$580.90
Z646367-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,700.90
Z646367-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,600.90

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	ZT-1a is a potent, non-ATP-competitive and selective SPAK inhibitor. ZT-1a inhibits SPAK activity with IC 50 s of 44.3, 35.0, 46.7 μM at ATP concentrations of 0.01, 0.1 and 1 mM, respectively.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	ZT-1a is a potent, non-ATP-competitive and selective SPAK inhibitor. ZT-1a inhibits SPAK activity with IC 50 s of 44.3, 35.0, 46.7 μM at ATP concentrations of 0.01, 0.1 and 1 mM, respectively In Vitro ZT-1a inhibits Na-K-2Cl cotransporter (NKCC1) and stimulates K-Cl cotransporters (KCCs) by decreasing their SPS1-related proline/alanine-rich kinase (SPAK)-dependent phosphorylation. ZT-1a inhibits phosphorylation of NKCC1 p-Thr203/207/212 by 72±5.2% at 1 µM ZT-1a and phosphorylation of KCC sites 1/2 by 65-77% at 3 µM in HEK-293 cells. SPAK phosphorylation at Ser373 is inhibited by 70±3.8% inhibition at 3-10 µM ZT-1a. ZT-1a (10 µM) inhibits NKCC1 but stimulates KCC3 activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo ZT-1a (10-100 mg/kg) inhibits SPAK-dependent cation-Cl− cotransporters (CCC) phosphorylation in vivo . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Naive mice Dosage: 10, 30, 50, and 100 mg/kg Administration: Intraperitoneal (i.p.) administration Result: Inhibited SPAK-dependent cation-Cl - cotransporters (CCC) phosphorylation in vivo. Form:Solid IC50& Target:SPAK

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylacetonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylacetonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylacetonitriles
Alternative Parents	Benzanilides Diphenylmethanes 3-halobenzoic acids and derivatives Salicylamides Benzamides Benzoyl derivatives P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Toluenes Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylacetonitrile - Benzanilide - Aromatic anilide - Diphenylmethane - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - 4-chlorophenol - 4-halophenol - Benzoyl - Chlorobenzene - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl chloride - Aryl halide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-chloro-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxybenzamide
INCHI	InChI=1S/C22H15Cl3N2O2/c1-12-8-16(18(11-26)13-2-4-14(23)5-3-13)19(25)10-20(12)27-22(29)17-9-15(24)6-7-21(17)28/h2-10,18,28H,1H3,(H,27,29)
InChIKey	RPTKRVXJNWPJLU-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)O)Cl)C(C#N)C3=CC=C(C=C3)Cl
Isomeric SMILES	CC1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)O)Cl)C(C#N)C3=CC=C(C=C3)Cl
PubChem CID	10789506
Molecular Weight	445.73

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 100 mg/mL (224.35 mM; Need ultrasonic)
Molecular Weight	445.700 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	444.02 Da
Monoisotopic Mass	444.02 Da
Topological Polar Surface Area	73.100 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	616.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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