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SDZ-MKS 492 - 98%, high purity , CAS No.114606-56-3

COA

Grade & Purity:

≥98%

Cas Number: 114606-56-3
Molecular Weight: 433.46
PubChem CID: 163931

In stock

Item Number

S651037

Grouped product items
SKU	Size	Availability	Price
S651037-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
S651037-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90
S651037-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,650.90
S651037-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,250.90

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Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Phosphodiesterase (PDE) (252)

Basic Description

Synonyms	8-{[1-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]imino}-7-(2-methoxyethyl)-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione \| 8-[[(1R)-1-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione \| MS-27742 \| Sdz mks 492 \| (8
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	SDZ-MKS 492 (MKS 492) is a selective inhibitor of cyclic GMP-inhibited phosphodiesterase (type III PDE) . SDZ-MKS 492 inhibits antigen- or platelet activating factor (PAF)-induced bronchoconstriction and allergic reactions in guinea pigs and rats.
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	SDZ-MKS 492 (MKS 492) is a selective inhibitor of cyclic GMP-inhibited phosphodiesterase (type III PDE) . SDZ-MKS 492 inhibits antigen- or platelet activating factor (PAF)-induced bronchoconstriction and allergic reactions in guinea pigs and rats In Vitro MKS 492 relaxes airway smooth muscle in vitro. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo MKS-492 (3-10 mg/kg; i.v.) inhibits antigen-induced bronchoconstriction in guinea pigs . MKS-492 (1-3 mg/kg; i.v.) inhibits PAF-induced bronchoconstriction and the increase in airway responsiveness to histamine in guinea pigs . MKS-492 (30-100 mg/kg; i.p.) inhibits leukotriene B4 (LTB4)-induced airway eosinophilia in guinea pigs . MKS-492 (10-100 mg/kg; i.p.) inhibits passive cutaneous anaphylaxis and mediator-induced skin reactions in rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female Hartley guinea pigs (250-300 g) were passively sensitized with anti-BPO BGG guinea pig serum Dosage: 3, 10 mg/kg Administration: I.v. 5 min before antigen challenge Result: Inhibited antigen-induced bron choconstriction in a dose-related manner. Form:Solid IC50& Target:type III phosphodiesterase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Xanthines
Alternative Parents	Dimethoxybenzenes 6-oxopurines Alkaloids and derivatives Phenoxy compounds Anisoles Secondary alkylarylamines Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthine - O-dimethoxybenzene - Dimethoxybenzene - Purinone - 6-oxopurine - Alkaloid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Secondary aliphatic/aromatic amine - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Aminoimidazole - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Urea - Lactam - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
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

Names and Identifiers

IUPAC Name	8-[[(1R)-1-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
INCHI	InChI=1S/C20H27N5O6/c1-23-17-16(18(27)24(2)20(23)28)25(8-9-29-3)19(22-17)21-13(11-26)12-6-7-14(30-4)15(10-12)31-5/h6-7,10,13,26H,8-9,11H2,1-5H3,(H,21,22)/t13-/m0/s1
InChIKey	VZLFAVFWNOZVFM-ZDUSSCGKSA-N
Smiles	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC(CO)C3=CC(=C(C=C3)OC)OC)CCOC
Isomeric SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@@H](CO)C3=CC(=C(C=C3)OC)OC)CCOC
Alternate CAS	114606-56-3
PubChem CID	163931
MeSH Entry Terms	(8-(1-(3,4-dimethoxyphenyl)-2-hydroxyethyl)amino)-3,7-dihydro-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6-dione;MKS 492;MKS-492;SDZ MKS 492;SDZ MKS-492
Molecular Weight	433.46

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 250 mg/mL (576.75 mM; Need ultrasonic)
Molecular Weight	433.500 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	433.196 Da
Monoisotopic Mass	433.196 Da
Topological Polar Surface Area	118.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	639.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
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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