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887375-67-9,MFCD26960897
Catalog No.:AA00GU13

887375-67-9 | 4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$8.00   $6.00
- +
2mg
98%
in stock  
$12.00   $8.00
- +
5mg
98%
in stock  
$23.00   $16.00
- +
10mg
98%
in stock  
$38.00   $27.00
- +
25mg
98%
in stock  
$64.00   $45.00
- +
250mg
98%(HPLC)
in stock  
$608.00   $426.00
- +
1g
95%
in stock  
$2,362.00 $1,654.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GU13
Chemical Name:
4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride
CAS Number:
887375-67-9
Molecular Formula:
C15H23ClFN3O4S
Molecular Weight:
395.8772
MDL Number:
MFCD26960897
SMILES:
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2.Cl.O.O
Properties
Computed Properties
 
Complexity:
482  
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route

[1]CurrentPatentAssignee:KOWACOMPANY,LTD.-WO2006/57397,2006,A1Locationinpatent:Page/Pagecolumn12;14

[2]CurrentPatentAssignee:KOWACOMPANY,LTD.-WO2006/57397,2006,A1Locationinpatent:Page/Pagecolumn5;7-8

[3]CurrentPatentAssignee:KOWACOMPANY,LTD.-WO2006/57397,2006,A1Locationinpatent:Page/Pagecolumn12

Literature

Title: Novel Pharmacologic Candidates for Treatment of Primary Open-Angle Glaucoma.

Journal: The Yale journal of biology and medicine 20170301

Title: Effects of K-115 (Ripasudil), a novel ROCK inhibitor, on trabecular meshwork and Schlemm's canal endothelial cells.

Journal: Scientific reports 20160101

Title: Ripasudil: first global approval.

Journal: Drugs 20141201

Title: Phase 1 clinical trials of a selective Rho kinase inhibitor, K-115.

Journal: JAMA ophthalmology 20131001

Title: Isobe T, et al. Effects of K-115, a rho-kinase inhibitor, on aqueous humor dynamics in rabbits. Curr Eye Res. 2014 Aug;39(8):813-22.

Title: Kaneko Y, et al. Effects of K-115 (Ripasudil), a novel ROCK inhibitor, on trabecular meshwork and Schlemm's canal endothelial cells. Sci Rep. 2016 Jan 19;6:19640.

Title: Yamamoto K, et al. The novel Rho kinase (ROCK) inhibitor K-115: a new candidate drug for neuroprotective treatment in glaucoma. Invest Ophthalmol Vis Sci. 2014 Oct 2;55(11):7126-36.

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SDS
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Tags:887375-67-9 Molecular Formula|887375-67-9 MDL|887375-67-9 SMILES|887375-67-9 4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride
Catalog No.: AA00GU13
887375-67-9,MFCD26960897
887375-67-9 | 4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride
Pack Size： 1mg
Purity： 98%
in stock
$8.00 $6.00
Pack Size： 2mg
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 5mg
Purity： 98%
in stock
$23.00 $16.00
Pack Size： 10mg
Purity： 98%
in stock
$38.00 $27.00
Pack Size： 25mg
Purity： 98%
in stock
$64.00 $45.00
Pack Size： 250mg
Purity： 98%(HPLC)
in stock
$608.00 $426.00
Pack Size： 1g
Purity： 95%
in stock
$2,362.00 $1,654.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00GU13
Chemical Name: 4-Fluoro-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrate hydrochloride
CAS Number: 887375-67-9
Molecular Formula: C15H23ClFN3O4S
Molecular Weight: 395.8772
MDL Number: MFCD26960897
SMILES: C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2.Cl.O.O
Properties
Complexity: 482  
Covalently-Bonded Unit Count: 4  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
223644-02-8    887375-67-9 

[1]CurrentPatentAssignee:KOWACOMPANY,LTD.-WO2006/57397,2006,A1Locationinpatent:Page/Pagecolumn12;14

[2]CurrentPatentAssignee:KOWACOMPANY,LTD.-WO2006/57397,2006,A1Locationinpatent:Page/Pagecolumn5;7-8

[3]CurrentPatentAssignee:KOWACOMPANY,LTD.-WO2006/57397,2006,A1Locationinpatent:Page/Pagecolumn12

Literature fold

Title: Novel Pharmacologic Candidates for Treatment of Primary Open-Angle Glaucoma.

Journal: The Yale journal of biology and medicine20170301

Title: Effects of K-115 (Ripasudil), a novel ROCK inhibitor, on trabecular meshwork and Schlemm's canal endothelial cells.

Journal: Scientific reports20160101

Title: Ripasudil: first global approval.

Journal: Drugs20141201

Title: Phase 1 clinical trials of a selective Rho kinase inhibitor, K-115.

Journal: JAMA ophthalmology20131001

Title: Isobe T, et al. Effects of K-115, a rho-kinase inhibitor, on aqueous humor dynamics in rabbits. Curr Eye Res. 2014 Aug;39(8):813-22.

Title: Kaneko Y, et al. Effects of K-115 (Ripasudil), a novel ROCK inhibitor, on trabecular meshwork and Schlemm's canal endothelial cells. Sci Rep. 2016 Jan 19;6:19640.

Title: Yamamoto K, et al. The novel Rho kinase (ROCK) inhibitor K-115: a new candidate drug for neuroprotective treatment in glaucoma. Invest Ophthalmol Vis Sci. 2014 Oct 2;55(11):7126-36.

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