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PGD2

PGD2 structure

CAS No:
41598-07-6
Formula:
C20H32O5
Chemical Name:
PGD2
Synonyms:
Prosta-5,13-dien-1-oic acid,9,15-dihydroxy-11-oxo-,(5Z,9α,13E,15S)-;(5Z,9α,13E,15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dien-1-oic acid;Prostaglandin D2;11-Dehydroprostaglandin F2α;PGD2

Description

Solid

Prostaglandin D2 is a member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer). It has a role as a human metabolite and a mouse metabolite. It is a conjugate acid of a prostaglandin D2(1-).|The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.|Prostaglandin D2 is an eicosanoid that is generated by the action of prostaglandin D2 synthase on prostaglandin H2. Prostaglandin D2 mediates vasodilation, smooth muscle contraction and circadian rhythms. This prostanoid may also play a role in male pattern baldness.

PGD2 Basic Attributes

Molecular Weight：

352.5 g/mol

Exact Mass：

352.47

UNII：

RXY07S6CZ2

NCI Thesaurus Code：

C116013

Characteristics

PSA：

94.8 Å²

Melting Point：

56-57°C

Collision Cross Section：

192.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|186.17 Å² [M-H2O-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|196.63 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|189.4 Å² [M-H]-

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

11 Dehydroprostaglandin F2 alpha

PGD2 Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]

Computed Properties

Molecular Weight:352.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:352.22497412
Monoisotopic Mass:352.22497412
Topological Polar Surface Area:94.8
Heavy Atom Count:25
Complexity:469
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of PGD2

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

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