16,16-DIMETHYLPROSTAGLANDIN E2

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36O5
Molecular Weight	380.5182
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 16,16-DIMETHYLPROSTAGLANDIN E2

Structure Search

SMILES

CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O

InChI

InChIKey=QAOBBBBDJSWHMU-WMBBNPMCSA-N

InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H36O5
Molecular Weight	380.5182
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Description
Sources: https://clinicaltrials.gov/ct2/show/NCT02354417 | https://www.ncbi.nlm.nih.gov/pubmed/1324050

16,16-dimethyl Prostaglandin E2 acts as an agonist on most prostaglandin E (EP) receptor subtypes, it has prolonged half-life in vivo, because it is not a substrate for the enzyme 15-hydroxy prostaglandin dehydrogenase. This compound was studied by Fate Therapeutics in phase I clinical trials under the name FT1050 or ProHema-CB for pediatric patients with hematologic malignancies. However, this study was terminated.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Prostaglandin E2 receptor 1 Target ID: CHEMBL2363068 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7938166	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Hematologic malignancies 19 Sources: https://clinicaltrials.gov/ct2/show/NCT02354417	Primary		Phase I 428	ProHema-CB Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P0077WJ	https://www.1pchem.com/search?query=1P0077WJ
Cayman Chemical	14750	http://www.caymanchem.com/app/template/Product.vm/catalog/14750
MolPort	MolPort-003-940-883	https://www.molport.com/shop/molecule-link/MolPort-003-940-883
MuseChem	I010878	https://www.musechem.com/product/I010878.html
Tocris	4027	https://www.tocris.com/search.php?Type=QuickSearch&Value=4027
eMolecules	207297426	https://orderbb.emolecules.com/search/#?query=207297426

PubMed

Title	Date	PubMed
Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells.	1997 Sep	9313928
16,16-Dimethyl prostaglandin E2 efficacy on prevention and protection from bleomycin-induced lung injury and fibrosis.	2009 Jul	19059888

Patents

Sample Use Guides

In Vivo Use Guide

ProHema-CB (the prostaglandin derivative, 16,16-dimethyl prostaglandin E2 also referred to as FT1050) will be prepared and administered in one of two formulations, based upon subject weight: for subjects > 35 kg, ProHema-CB will be administered as 150 mL product in a blood bag via gravity infusion. It will be infused in 10 mL to 15 mL per minute, for a total infusion time of 10 to 15 min. For subject's ≤ 35 kg, ProHema-CB will be administered as a 50 mL product in a syringe via syringe pump.o It will be infused at 5 mL/kg per hour for a total infusion time of up to ~1 hour.

Route of Administration: Other

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:15:45 GMT 2023` Edited by `admin` on `Fri Dec 15 15:15:45 GMT 2023`
Record UNII	M790V82VAC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16,16-DIMETHYLPROSTAGLANDIN E2

Common Name

English

FT-1050

Code

English

FT1050

Code

English

PROSTA-5,13-DIEN-1-OIC ACID, 11,15-DIHYDROXY-16,16-DIMETHYL-9-OXO-, (5Z,11.ALPHA.,13E,15R)

Common Name

English

(5Z,11.ALPHA.,13E,15R)-11,15-DIHYDROXY-16,16-DIMETHYL-9- OXOPROSTA-5,13-DIEN-1-OIC ACID

Systematic Name

English

16,16-DIMETHYL PROSTAGLANDIN E2

Common Name

English

16,16-DIMETHYL-PGE2

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78568