XTP - Triethylammonium salt(aqueous solution) - Moligand™, ≥95%, ~100 mM , CAS No.6253-56-1

CAS: 6253-56-1 Cat. No.: X274735 분자식: C₁₀H₁₅N₄O₁₅P₃ (free acid) 분자량: 524.17 g/mol (free acid) PubChem CID: 439296

GRADE & PURITY Moligand™, ≥95%, ~100 mM

Synonyms

5'-XTP | AM28CL5N94 | C00700 | AKOS040758244 | Xanthosine 5'-(tetrahydrogen triphosphate) | [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | xanthosine 5'-triphosphate | Xanthos

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Inhibitor of adenylyl and guanylyl cyclase.

Specifications

동의어

5'-XTP | AM28CL5N94 | C00700 | AKOS040758244 | Xanthosine 5'-(tetrahydrogen triphosphate) | [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | xanthosine 5'-triphosphate | Xanthos

사양 및 순도

Moligand™, ≥95%, ~100 mM

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

참고

Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 6 months. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥95%

이름과 식별자

Pubchem Sid

528768510

정식 스마일

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O

IUPAC Name

[[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

InChIKey

CAEFEWVYEZABLA-UUOKFMHZSA-N

INCHI

1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1

이성체 SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O

PubChem CID

439296

분자량

524.17 g/mol (free acid)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside triphosphates
• Alternative Parents: Purine ribonucleoside monophosphates Pentose phosphates Xanthines Glycosylamines Monosaccharide phosphates Alkaloids and derivatives Hydroxypyrimidines Monoalkyl phosphates N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside triphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Xanthine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Alkaloid or derivatives - Monoalkyl phosphate - Hydroxypyrimidine - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Azacycle - Oxacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
• External Descriptors: xanthosine 5'-phosphate - purine ribonucleoside 5'-triphosphate

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Supplied in water (100 mM)
• 분자량: 524.169 g/mol
• XLogP3: -6.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 523.975 Da
• Monoisotopic Mass: 523.975 Da
• Topological Polar Surface Area: 286.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 912.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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