MK-886 SODIUM MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H33ClNO2S.Na.H2O
Molecular Weight	512.079
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[Na+].CC(C)C1=CC2=C(C=C1)N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C([O-])=O)=C2SC(C)(C)C

InChI

InChIKey=APMAGPLTTCSTMM-UHFFFAOYSA-M

InChI=1S/C27H34ClNO2S.Na.H2O/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18;;/h8-14,17H,15-16H2,1-7H3,(H,30,31);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C27H34ClNO2S
Molecular Weight	472.082
Charge	0
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Arachidonate 5-lipoxygenase-activating protein 3 Target ID: P20292 Gene ID: 241.0 Gene Symbol: ALOX5AP Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/2300173	Inhibitor 8504
Arachidonate 5-lipoxygenase-activating protein 3 Target ID: P20291 Gene ID: 29624.0 Gene Symbol: Alox5ap Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/2300173	Inhibitor 8504

C_max

Value	Dose	Analyte	Population
1132 ng/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	100 mg 3 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
1503 ng/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	100 mg 3 times / day steady-state, oral dose: 100 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
2205 ng/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	200 mg 3 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
3022 ng/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	200 mg 3 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
4187 ng × h/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	100 mg 3 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
6012 ng × h/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	100 mg 3 times / day steady-state, oral dose: 100 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
9057 ng × h/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	200 mg 3 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
13085 ng × h/mL EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	200 mg 3 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
4.7 h EXPERIMENT https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76	100 mg 3 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:		MK-886 plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:03:16 GMT 2025` Edited by `admin` on `Mon Mar 31 18:03:16 GMT 2025`
Record UNII	H539088K42
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-886 SODIUM SALT HYDRATE

Preferred Name

English

MK-886 SODIUM MONOHYDRATE

Common Name

English

MK-886 SODIUM SALT MONOHYDRATE

Code

English

1H-INDOLE-2-PROPANOIC ACID, 1-((4-CHLOROPHENYL)METHYL)-3-((1,1-DIMETHYLETHYL)THIO)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1-METHYLETHYL)-, SODIUM SALT, HYDRATE (1:1:1)

Systematic Name

English

MK886 SODIUM MONOHYDRATE

Code

English

1-((4-CHLOROPHENYL)METHYL)-3-(1,1-(DIMETHYLETHYL)THIO)-A,A-DIMETHYL-5-(1-METHYLEHTYL)-1H-INDOLE-2-PROPANOIC ACID SODIUM SALT MONOHYDRATE

Common Name

English

Code System Code Type Description

CAS

1049737-88-3

Created by admin on Mon Mar 31 18:03:16 GMT 2025 , Edited by admin on Mon Mar 31 18:03:16 GMT 2025

PRIMARY

PUBCHEM

23702961

Created by admin on Mon Mar 31 18:03:16 GMT 2025 , Edited by admin on Mon Mar 31 18:03:16 GMT 2025

PRIMARY

EPA CompTox

DTXSID401019076

Created by admin on Mon Mar 31 18:03:16 GMT 2025 , Edited by admin on Mon Mar 31 18:03:16 GMT 2025

PRIMARY

FDA UNII

H539088K42

Created by admin on Mon Mar 31 18:03:16 GMT 2025 , Edited by admin on Mon Mar 31 18:03:16 GMT 2025

PRIMARY

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Details

SMILES

InChI

Approval Year

Targets

Cmax

AUC

T1/2

C_max

T_1/2