ChemicalBook--->CAS DataBase List--->118675-50-6

118675-50-6

118675-50-6 Structure

118675-50-6 Structure
IdentificationBack Directory
[Name]

BW A868C
[CAS]

118675-50-6
[Synonyms]

BW A868C
(+/-)-3-BENZYL-5-(6-CARBOXYHEXYL)-1-(2-CYCLOHEXYL-2-HYDROXYETHYLAMINO)HYDANTOIN
3-(2-CYCLOHEXYL-2-HYDROXYETHYLAMINO)-2,5-DIOXO-1-BENZYL-4-IMIDAZOLIDINEHEPTANOIC ACID
4-Imidazolidineheptanoic acid, 3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)-
3-[(2-Cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)- 4-imidazolidineheptanoic acid
7-[3-[(2-CYCLOHEXYL-2-HYDROXYETHYL)AMINO]-2,5-DIOXO-1-(PHENYLMETHYL)-4-IMIDAZOLIDINYL]HEPTANOIC ACID
[Molecular Formula]

C25H37N3O5
[MDL Number]

MFCD00877696
[MOL File]

118675-50-6.mol
[Molecular Weight]

459.58
Chemical PropertiesBack Directory
[Boiling point ]

638.1±65.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

DMSO: >5 mg/mL, soluble
[form ]

solid
[pka]

4.77±0.10(Predicted)
[color ]

colorless
[InChIKey]

YZJVWSKJHGEIBL-UHFFFAOYSA-N
[SMILES]

OC(CNN1C(CCCCCCC(O)=O)C(=O)N(Cc2ccccc2)C1=O)C3CCCCC3
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H319-H350
[Precautionary statements ]

P201-P202-P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P308+P313-P337+P313-P370+P378-P403+P235-P405-P501
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

BW A868C is a hydantoin compound structurally related to the DP agonist BW245C.
[Definition]

ChEBI: BW A868C is an imidazolidine-2,4-dione.
[Biological Activity]

bw a868c is a novel, selective and potent competitive antagonist of prostaglandin d2 (pgd2) [1].prostaglandin d2 has been widely distributed in rat brain, spinal cord and pituitary and may act as a neuromodulator in the central nervous system [2]. prostaglandin d2 is critical for the development of allergic diseases such as asthma.
[in vitro]

in glycerol-lysed human platelets, bw245c activated adenylate cyclase in a biphasic manner. bw a868c showed no effect on carbacyclin, iloprost, prostacyclin, pge1 and pge2 at a concentration 1,000 fold that of its kb against pgd2 and bw245c [1]. bw a868c showed no effect on human tp, ip, ep1, ep2, and fp receptors. the ki value for bw a868c is approximately 1.7 nm[1] .in isolated rings of rabbit saphenous vein (rbsv) pre-contracted with 40 mm kcl, bw245c caused concentration-dependent relaxations with an ec50 of 38 nm [3].
[IC 50]

DP2
[References]

[1] giles h, leff p, bolofo m l, et al. the classification of prostaglandin dp‐receptors in platelets and vasculature using bw a868c, a novel, selective and potent competitive antagonist[j]. british journal of pharmacology, 1989, 96(2): 291-300.
[2] shimizu t, mizuno n, amano t, et al. prostaglandin d2, a neuromodulator[j]. proceedings of the national academy of sciences, 1979, 76(12): 6231-6234.
[3] lydford s j, mckechnie k c w, leff p. interaction of bw a868c, a prostanoid dp-receptor antagonist, with two receptor subtypes in the rabbit isolated saphenous vein[j]. prostaglandins, 1996, 52(2): 125-139.
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