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1530-88-7,MFCD00003165
Catalog No.:AA007J5Q

1530-88-7 | Pyrrolidine-1-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$34.00   $24.00
- +
5g
98%
in stock  
$84.00   $59.00
- +
25g
98%
in stock  
$409.00   $286.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007J5Q
Chemical Name:
Pyrrolidine-1-carbonitrile
CAS Number:
1530-88-7
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
MDL Number:
MFCD00003165
SMILES:
N#CN1CCCC1
NSC Number:
44225
Properties
Computed Properties
 
Complexity:
93.9  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1  

Downstream Synthesis Route

[1]Snider,BarryB.;O'Hare,SeanM.[TetrahedronLetters,2001,vol.42,#13,p.2455-2458]

[2]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

[3]Keil,Dietmar;Hartmann,Horst[Phosphorus,SulfurandSiliconandtheRelatedElements,1999,vol.152,p.169-184]

[4]Garbrecht;Herbst[JournalofOrganicChemistry,1953,vol.18,p.1003,1005]

[5]Malik,Abdul;Afza,Nighat;Siddiqui,Salimuzzaman[ZeitschriftfurNaturforschung,TeilB:AnorganischeChemie,OrganischeChemie,1982,vol.37,#4,p.512-518]

[6]Jia,Qiang;Cai,Tingwei;Huang,Mingchuan;Li,Huiying;Xian,Ming;Poulos,ThomasL.;Wang,PengG.[JournalofMedicinalChemistry,2003,vol.46,#12,p.2271-2274]

[7]CurrentPatentAssignee:IMMUNEPHARMACEUTICALSINC-US2004/127521,2004,A1

[8]Fukumoto,Kozo;Oya,Tsukuru;Itazaki,Masumi;Nakazawa,Hiroshi[JournaloftheAmericanChemicalSociety,2009,vol.131,p.38-39]

[9]CurrentPatentAssignee:PFIZERINC-US4098791,1978,A

[1]Yasumoto,Masahiko;Tsuchiya,Tohru;Taguchi,Yoichi;Shibuya,Isao;Yonemoto,Katsumi;Goto,Midori[ChemistryLetters,1991,p.1229-1232]

[1]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

1530-88-7    20739-59-7   
Pyrrolidine-1-carboximidicacid1-ethyl-but-2-ynylester 

[1]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

[1]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

Literature

Title: Identification of diverse dipeptidyl peptidase IV inhibitors via structure-based virtual screening.

Journal: Journal of molecular modeling 20120901

Title: Saxagliptin for type 2 diabetes.

Journal: Diabetes, metabolic syndrome and obesity : targets and therapy 20100101

Title: Potent non-nitrile dipeptidic dipeptidyl peptidase IV inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20071201

Title: Acyclic cyanamide-based inhibitors of cathepsin K.

Journal: Bioorganic & medicinal chemistry letters 20050615

Title: Novel and potent cyclic cyanamide-based cathepsin K inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20050401

Title: Peptidic 1-cyanopyrrolidines: synthesis and SAR of a series of potent, selective cathepsin inhibitors.

Journal: Bioorganic & medicinal chemistry 20021001

Title: Novel, nonpeptidic cyanamides as potent and reversible inhibitors of human cathepsins K and L.

Journal: Journal of medicinal chemistry 20010104

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Tags:1530-88-7 Molecular Formula|1530-88-7 MDL|1530-88-7 SMILES|1530-88-7 Pyrrolidine-1-carbonitrile
Catalog No.: AA007J5Q
1530-88-7,MFCD00003165
1530-88-7 | Pyrrolidine-1-carbonitrile
Pack Size： 1g
Purity： 97%
in stock
$34.00 $24.00
Pack Size： 5g
Purity： 98%
in stock
$84.00 $59.00
Pack Size： 25g
Purity： 98%
in stock
$409.00 $286.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA007J5Q
Chemical Name: Pyrrolidine-1-carbonitrile
CAS Number: 1530-88-7
Molecular Formula: C5H8N2
Molecular Weight: 96.1304
MDL Number: MFCD00003165
SMILES: N#CN1CCCC1
NSC Number: 44225
Properties
Complexity: 93.9  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1  
Downstream Synthesis Route
123-75-1    506-68-3    1530-88-7 

[1]Snider,BarryB.;O'Hare,SeanM.[TetrahedronLetters,2001,vol.42,#13,p.2455-2458]

[2]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

[3]Keil,Dietmar;Hartmann,Horst[Phosphorus,SulfurandSiliconandtheRelatedElements,1999,vol.152,p.169-184]

[4]Garbrecht;Herbst[JournalofOrganicChemistry,1953,vol.18,p.1003,1005]

[5]Malik,Abdul;Afza,Nighat;Siddiqui,Salimuzzaman[ZeitschriftfurNaturforschung,TeilB:AnorganischeChemie,OrganischeChemie,1982,vol.37,#4,p.512-518]

[6]Jia,Qiang;Cai,Tingwei;Huang,Mingchuan;Li,Huiying;Xian,Ming;Poulos,ThomasL.;Wang,PengG.[JournalofMedicinalChemistry,2003,vol.46,#12,p.2271-2274]

[7]CurrentPatentAssignee:IMMUNEPHARMACEUTICALSINC-US2004/127521,2004,A1

[8]Fukumoto,Kozo;Oya,Tsukuru;Itazaki,Masumi;Nakazawa,Hiroshi[JournaloftheAmericanChemicalSociety,2009,vol.131,p.38-39]

[9]CurrentPatentAssignee:PFIZERINC-US4098791,1978,A

1530-88-7    463-58-1    135704-51-7 

[1]Yasumoto,Masahiko;Tsuchiya,Tohru;Taguchi,Yoichi;Shibuya,Isao;Yonemoto,Katsumi;Goto,Midori[ChemistryLetters,1991,p.1229-1232]

1530-88-7    23293-50-7    62969-91-9 

[1]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

1530-88-7    20739-59-7   
Pyrrolidine-1-carboximidicacid1-ethyl-but-2-ynylester 

[1]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

1530-88-7    105-31-7    62969-93-1 

[1]Overman,L.E.;Tsuboi,S.;Ross,J.P.[JournaloftheAmericanChemicalSociety,1980,vol.102,p.747]

Literature fold

Title: Identification of diverse dipeptidyl peptidase IV inhibitors via structure-based virtual screening.

Journal: Journal of molecular modeling20120901

Title: Saxagliptin for type 2 diabetes.

Journal: Diabetes, metabolic syndrome and obesity : targets and therapy20100101

Title: Potent non-nitrile dipeptidic dipeptidyl peptidase IV inhibitors.

Journal: Bioorganic & medicinal chemistry letters20071201

Title: Acyclic cyanamide-based inhibitors of cathepsin K.

Journal: Bioorganic & medicinal chemistry letters20050615

Title: Novel and potent cyclic cyanamide-based cathepsin K inhibitors.

Journal: Bioorganic & medicinal chemistry letters20050401

Title: Peptidic 1-cyanopyrrolidines: synthesis and SAR of a series of potent, selective cathepsin inhibitors.

Journal: Bioorganic & medicinal chemistry20021001

Title: Novel, nonpeptidic cyanamides as potent and reversible inhibitors of human cathepsins K and L.

Journal: Journal of medicinal chemistry20010104

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