Pgj2
Also known as prostaglandin J2, 9-Deoxy-delta-9-prostaglandin D2, 9-Deoxy-delta-9-pgd2
Key facts
What buyers check first
- CAS number
- 60203-57-8
- Formula
- C20H30O4
- Molar mass
- 334.46 g/mol
- HS code
- 293750
- Category
- Aliphatic and alicyclic building blocks
What is Pgj2?
Plain description, key identifiers and synonyms
Prostaglandin J2 is a member of the class of prostaglandins J that consists of prosta-5,9,13-trien-1-oic acid substituted by an oxo group at position 11 and a hydroxy group at position 15 (the 5Z,13E,15S stereoisomer). It has a role as a human metabolite. It is functionally related to a prostaglandin D2. It is a conjugate acid of a prostaglandin J2(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
- CAS number
- 60203-57-8 CAS number cross-checked
- Molecular formula
- C20H30O4
- InChIKey
- UQOQENZZLBSFKO-POPPZSFYSA-N
- InChI
- InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
- Canonical SMILES
- CCCCCC(O)C=CC1C(=O)C=CC1CC=CCCCC(=O)O
- Isomeric SMILES
- CCCCC[C@@H](/C=C/[C@@H]1[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O
Synonyms
- prostaglandin J2
- 9-Deoxy-delta-9-prostaglandin D2
- 9-Deoxy-delta-9-pgd2
- 11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid
- Prosta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (5Z,13E,15S)-
- (Z)-7-((1S,5R)-5-((E,3S)-3-hydroxyoct-1-enyl)-4-oxo-1-cyclopent-2-enyl)hept-5-enoic acid
- (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid
- PGJ2 (Prostaglandin J2)
- (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
- (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oic acid
- Prostaglandin J2 Lipid Maps(R) MS Standard
- 8-epi-15-J2t-IsoP
- 11-oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoate
- 11-oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoic acid
- Prostaglandin J2 Solution in Methyl acetate, 100ug/mL
- 11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo
- (5Z,13E,15S)-15-Hydroxy-11-oxoprosta-5,9,13-trien-1-oic Acid, 9,10-Didehydro-9-deoxy-PGD2, PGJ2, Prostaglandin J2
- (Z)-7-((1S,5R)-5-((S,E)-3-hydroxyoct-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)hept-5-enoic acid
- (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid
- Prostaglandin J2, 8-epi-15-J2t-IsoP, 11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 334.46 g/molcalc.Computed value |
|---|---|
| Exact mass | 334.2144 Dacalc.Computed value |
| LogP (octanol/water) | 4.06calc.Computed value |
| Topological polar surface area | 74.6 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 12calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.6calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1C=CCC1
1 ring, 6 atoms, the 2-Cyclopenten-1-one ring system.
829 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Pgj2 suppliers
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Pgj2 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antineoplastic Agents
Roles
- animal metabolite
- eukaryotic metabolite
- human metabolite
- mammalian metabolite
- metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pgj2 is traded under.
Prostaglandins, thromboxanes and leukotrienes, their derivatives and structural analogues
- Hungary22.8%
- Czech Republic21.6%
- South Korea14.6%
The HS code shown for Pgj2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Pgj2, based on the data on this page
What is Pgj2?
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What is the molecular formula and weight of Pgj2?
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Guides for buyers
Practical guides that help when you source, ship or handle Pgj2
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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