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Dodecylphosphate , CAS No.2627-35-2

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Dodecylphosphate , CAS No.2627-35-2

COA

Cas Number: 2627-35-2
Molecular Weight: 266.3
Beilstein Registry Number: 1710518
EC Number: 220-095-4
PubChem CID: 75816

In stock

Item Number

D336177

Grouped product items
SKU	Size	Availability	Price	Qty
D336177-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
D336177-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90

a LPA2 agonist and LPA antagonist receptor ligand

Basic Description

Synonyms	ROMOL MAP H \| NSC-41919 \| Q27890227 \| Dodecyl dihydrogen phosphate # \| HY-125802 \| monolauryl phosphoric acid \| Dihydrogen monolauryl phosphate \| ETHFAC 102 \| F87061 \| Lauryl phosphate \| NSC-49769 \| SY291317 \| J-016361 \| UNII-0K08L8GE2H \| FT-0625574 \| mon
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	Dodecylphosphate is a lysophosphatidic acid (LPA) receptor ligand which serves as a specific agonist at EDG-4 (LPA2) (EC\|50\|=700 nM) and antagonist at EDG-7 (LPA3) (K\|i\|=90 nM).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphoric acids and derivatives
    - Subclass Phosphate esters
      - Level5 Alkyl phosphates
        Level6 Monoalkyl phosphates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Alkyl phosphates
Direct Parent	Monoalkyl phosphates
Alternative Parents	Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Monoalkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
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

Product Properties

Ki Data	Lysophosphatidic acid receptor 1: Ki= 1.35 μM (RH7777 rat hepatoma cells); Lysophosphatidic acid receptor 3: Ki= 0.12 μM (RH7777 rat hepatoma cells)

Associated Targets(Human)

LPAR1 Tchem Lysophosphatidic acid receptor Edg-2 (779 Activities)

Discover Target: LPAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)

Discover Target: LPAR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPAR3 Tchem Lysophosphatidic acid receptor Edg-7 (471 Activities)

Discover Target: LPAR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PC-3 (62116 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	dodecyl dihydrogen phosphate
INCHI	InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKey	TVACALAUIQMRDF-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCOP(=O)(O)O
Isomeric SMILES	CCCCCCCCCCCCOP(=O)(O)O
Molecular Weight	266.3
Beilstein	1710518
Reaxy-Rn	1710518
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1710518&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in DMSO, and ethanol. Insoluble in water.
Refractive Index	n20D1.46
Boil Point(°C)	~385.5° C at 760 mmHg (Predicted)
Melt Point(°C)	39-45° C
Molecular Weight	266.310 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	266.165 Da
Monoisotopic Mass	266.165 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	203.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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