Tripotassium 4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H16O7PS.3K
Molecular Weight	500.628
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Tripotassium 4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate

Structure Search

SMILES

[K+].[K+].[K+].[O-]P([O-])(=O)C(CCCC1=CC=CC(OC2=CC=CC=C2)=C1)S([O-])(=O)=O

InChI

InChIKey=DRADVLDMPYYQDB-UHFFFAOYSA-K

InChI=1S/C16H19O7PS.3K/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14;;;/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H16O7PS
Molecular Weight	383.333
Charge	-3
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:36:46 GMT 2023` Edited by `admin` on `Sat Dec 16 19:36:46 GMT 2023`
Record UNII	AYH5JV63N4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tripotassium 4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate

Systematic Name

English

BPH-652

Code

English

4-(3-PHENOXYPHENYL)-1-PHOSPHONO-BUTANE-1-SULFONIC ACID; POTASSIUM HYDRIDE

Systematic Name

English

Benzenebutanesulfonic acid, 3-phenoxy-α-phosphono-, tripotassium salt

Systematic Name

English

BPH 652

Code

English

Benzenebutanesulfonic acid, 3-phenoxy-α-phosphono-, potassium salt (1:3)

Systematic Name

English

Code System Code Type Description

FDA UNII

AYH5JV63N4

Created by admin on Sat Dec 16 19:36:46 GMT 2023 , Edited by admin on Sat Dec 16 19:36:46 GMT 2023

PRIMARY

PUBCHEM

16730264

Created by admin on Sat Dec 16 19:36:46 GMT 2023 , Edited by admin on Sat Dec 16 19:36:46 GMT 2023

PRIMARY

CAS

157124-84-0

Created by admin on Sat Dec 16 19:36:46 GMT 2023 , Edited by admin on Sat Dec 16 19:36:46 GMT 2023

PRIMARY

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ACTIVE MOIETY

Comments:

Oldfield and coworkers extensively studied the biological activity of BPH-652 [50]. BPH-652 inhibited CrtM of S. aureus with a Ki value of 1.5 nM. Correspondingly, the pigmentation of S. aureus was suppressed with IC50 values of 100 to 300 nM. As expected from previous genetic deletion experiments of CrtM [49], BPH-652 did not directly inhibit the growth of S. aureus. Furthermore, BPH-652-treated S. aureus became 15-fold increased susceptibility by hydrogen peroxide and 4-fold decreased survival ability in whole blood cells, suggesting that the yellow pigment is involved in self-defense as an antioxidant. Finally, the in vivo efficacy of BPH-652 on S. aureus infection was confirmed in two mouse models of nasal colonization and intraperitoneal infection. BPH-652 treatment decreased the survival of S. aureus in the kidney by 98%, revealing that BPH-652 showed very excellent therapeutic efficacy without toxicity.

Amount: