Sp-cAMPS - Moligand™ , Activator of protein kinase A, CAS No.S613668, Activator of protein kinase A

CAS: S613668 Cat. No.: S613668 PubChem CID: 6426632

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ACTIVATOR

작동 메커니즘

Activator of protein kinase A

이름과 식별자

• 정식 스마일: OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N
• IUPAC Name: 6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
• InChIKey: SMPNJFHAPJOHPP-UHFFFAOYSA-N
• INCHI: 1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)
• 이성체 SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=S)(O1)O
• PubChem CID: 6426632

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Nucleoside and nucleotide analogues
      • Subclass 3',5'-cyclic purine nucleoside phosphorothioates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Nucleoside and nucleotide analogues
• Subclass: 3',5'-cyclic purine nucleoside phosphorothioates
• Intermediate Tree Nodes: Not available
• Direct Parent: 3',5'-cyclic purine nucleoside phosphorothioates
• Alternative Parents: Glycosylamines 6-aminopurines Thiophosphate diesters Aminopyrimidines and derivatives N-substituted imidazoles Monosaccharides Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - Thiophosphate diester - Thiophosphoric acid ester - N-substituted imidazole - Monosaccharide - Pyrimidine - Organic thiophosphoric acid or derivatives - Imidolactam - Heteroaromatic compound - Azole - Oxolane - Imidazole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleoside phosphorothioates. These are 3',5'-cyclic purine nucleoside phosphate analogues, where a phosphate oxygen has been exchanged for sulphur generating a chiral phosphorothioate. In 3',5'-cyclic nucleoside phosphorothioate, the oxygen atoms at the 3'- and 5'-positions of the ribose are part of the phosphorothioate group.
• External Descriptors: Not available

Data sources

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

관련 대상(인간)

PRKAR1A Tbio cAMP-dependent protein kinase type I-alpha regulatory subunit (0 Activities)

Discover Target: PRKAR1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKAR2A Tchem cAMP-dependent protein kinase type II-alpha regulatory subunit (0 Activities)

Discover Target: PRKAR2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKACB Tchem cAMP-dependent protein kinase catalytic subunit beta (0 Activities)

Discover Target: PRKACB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKACG Tchem cAMP-dependent protein kinase catalytic subunit gamma (0 Activities)

Discover Target: PRKACG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKAR1B Tbio cAMP-dependent protein kinase type I-beta regulatory subunit (0 Activities)

Discover Target: PRKAR1B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKAR2B Tchem cAMP-dependent protein kinase type II-beta regulatory subunit (0 Activities)

Discover Target: PRKAR2B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKACA Tchem cAMP-dependent protein kinase catalytic subunit alpha (0 Activities)

Discover Target: PRKACA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 분자량: 345.270 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 345.03 Da
• Monoisotopic Mass: 345.03 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 502.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1