d-ribo Phytosphingosine 1-Phosphate - Moligand™, ≥95% , Agonist of S1P 4 receptor, CAS No.38597-28-3, Agonist of S1P 4 receptor

CAS: 38597-28-3 Cat. No.: D333341 분자식: C₁₈H₄₀NO₆P 분자량: 397.49 PubChem CID: 10883829

GRADE & PURITY Moligand™, ≥95%

Synonyms

LMSP01050003 | phytoS1P | (2S,3S,4R)-2-Amino-1,3,4-octadecanetriol 1-(Dihydrogen Phosphate) | Q27088376 | D-ribo-Phytosphingosine-1-Phosphate | DTXSID30959310 | 2-Amino-3,4-dihydroxyoctadecyl dihydrogen phosphate | PhS1P | SCHEMBL17522136 | GTPL2922 | phy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

d-ribo Phytosphingosine 1-Phosphate is a potential modulator of cellular processes. It is also a high affinity ligand for the S1P4/Edg-6 receptor.

Specifications

동의어

LMSP01050003 | phytoS1P | (2S,3S,4R)-2-Amino-1,3,4-octadecanetriol 1-(Dihydrogen Phosphate) | Q27088376 | D-ribo-Phytosphingosine-1-Phosphate | DTXSID30959310 | 2-Amino-3,4-dihydroxyoctadecyl dihydrogen phosphate | PhS1P | SCHEMBL17522136 | GTPL2922 | phy

사양 및 순도

Moligand™, ≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of S1P 4 receptor

순수함

≥95%

이름과 식별자

• 정식 스마일: CCCCCCCCCCCCCCC(C(C(COP(=O)(O)O)N)O)O
• IUPAC Name: [(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate
• InChIKey: AYGOSKULTISFCW-KSZLIROESA-N
• INCHI: 1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1
• 이성체 SMILES: CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O
• PubChem CID: 10883829
• 분자량: 397.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Sphingolipids
      • Subclass Phosphosphingolipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Sphingolipids
• Subclass: Phosphosphingolipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphosphingolipids
• Alternative Parents: Phosphoethanolamines Monoalkyl phosphates 1,3-aminoalcohols Secondary alcohols 1,2-diols 1,2-aminoalcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sphingoid-1-phosphate or derivatives - Phosphoethanolamine - Monoalkyl phosphate - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - 1,3-aminoalcohol - 1,2-diol - 1,2-aminoalcohol - Secondary alcohol - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
• External Descriptors: Sphingoid base 1-phosphates

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)

S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (1 Activities)

Discover Target: S1PR4

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

화학 및 물리적 특성

• 녹는점(°C): 135-139° C
• 분자량: 397.500 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 397.259 Da
• Monoisotopic Mass: 397.259 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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