946426-88-6,MFCD12964218
Catalog No.:AA00IIC1

946426-88-6 | Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$281.00   $197.00
- +
5mg
>95%
1 week  
$297.00   $208.00
- +
10mg
>95%
1 week  
$327.00   $229.00
- +
500mg
>95%
1 week  
$992.00   $694.00
- +
1g
>95%
1 week  
$1,443.00   $1,010.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IIC1
Chemical Name:
Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate
CAS Number:
946426-88-6
Molecular Formula:
C14H11Cl2NO3
Molecular Weight:
312.1480
MDL Number:
MFCD12964218
SMILES:
COC(=O)c1c(onc1c1c(Cl)cccc1Cl)C1CC1
Properties
Computed Properties
 
Complexity:
367  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:SHENZHENLANGRUNINVESTMENTCO.,LTD.-CN106146483,2016,ALocationinpatent:Paragraph0128;0129;0133

[2]CurrentPatentAssignee:ELANCOANIMALHEALTHINC-WO2007/92751,2007,A2Locationinpatent:Page/Pagecolumn11

[3]CurrentPatentAssignee:ELILILLY&CO-WO2009/12125,2009,A1Locationinpatent:Page/Pagecolumn23

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2019/89664,2019,A1Locationinpatent:Page/Pagecolumn66-68

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2019/89670,2019,A1Locationinpatent:Page/Pagecolumn54;55;56

[6]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2019/127362,2019,A1Locationinpatent:Paragraph0489-0490

[7]Carpenter,Joseph;Wu,Gang;Wang,Ying;Cook,EricaM.;Wang,Tao;Sitkoff,Doree;Rossi,KarenA.;Mosure,Kathy;Zhuo,Xiaoliang;Cao,GaryG.;Ziegler,Milinda;Azzara,AnthonyV.;Krupinski,Jack;Soars,MatthewG.;Ellsworth,BruceAlan;Wacker,DeanA.[ACSMedicinalChemistryLetters,2021,vol.12,#9,p.1413-1420]

[8]CurrentPatentAssignee:ELILILLY&CO-WO2009/12125,2009,A1Locationinpatent:Page/Pagecolumn57-58

[9]Li,Junyou;Liu,Mengqi;Li,Yazhou;Sun,Dan-Dan;Shu,Zhihao;Tan,Qian;Guo,Shimeng;Xie,Rongrong;Gao,Lixin;Ru,Hongbo;Zang,Yi;Liu,Hong;Li,Jia;Zhou,Yu[JournalofMedicinalChemistry,2020,vol.63,#21,p.12748-12772]

[10]CurrentPatentAssignee:ELILILLY&CO-WO2009/12125,2009,A1Locationinpatent:Page/Pagecolumn57;69-70

[11]Genin,MichaelJ.;Bueno,AnaB.;AgejasFrancisco,Javier;Manninen,PeterR.;Bocchinfuso,WayneP.;Montrose-Rafizadeh,Chahrzad;Cannady,EllenA.;Jones,TimothyM.;Stille,JohnR.;Raddad,Eyas;Reidy,Charles;Cox,Amy;Michael,M.Dodson;Michael,LauraF.[JournalofMedicinalChemistry,2015,vol.58,#24,p.9768-9772]

[12]CurrentPatentAssignee:NANJINGRUIJIEPHARMATECH-WO2020/249064,2020,A1Locationinpatent:Paragraph000140;000154;000155

[13]CurrentPatentAssignee:KISKJISHANGHAIMEDICALSCIENCEANDTECH-CN114195776,2022,ALocationinpatent:Paragraph0163;0166-0167

[14]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-CN110452235,2019,ALocationinpatent:Paragraph0159;0170-0172

[15]Tully,DavidC.;Rucker,PaulV.;Chianelli,Donatella;Williams,Jennifer;Vidal,Agnès;Alper,PhilB.;Mutnick,Daniel;Bursulaya,Badry;Schmeits,James;Wu,Xiangdong;Bao,Dingjiu;Zoll,Jocelyn;Kim,Young;Groessl,Todd;McNamara,Peter;Seidel,H.Martin;Molteni,Valentina;Liu,Bo;Phimister,Andrew;Joseph,SeanB.;Laffitte,Bryan[JournalofMedicinalChemistry,2017,vol.60,#24,p.9960-9973]

[16]CurrentPatentAssignee:NINGBOBIONASHPHARMACEUTICAL-CN106632294,2017,ALocationinpatent:Paragraph0091;0102;0103;0104;0105

[17]CurrentPatentAssignee:NINGBOBIONASHPHARMACEUTICAL-CN108218852,2018,ALocationinpatent:Paragraph0144;0155;0156;0157;0158

[18]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS);CASCADESHANGHAIPHARMACEUTICALTECH-CN112824394,2021,ALocationinpatent:Paragraph0092;0098

[19]Cai,Zongyu;Wang,Bin;Zhou,Zongtao;Zhao,Xin;Hu,Lijun;Ren,Qiang;Deng,Liming;Li,Zheng;Wang,Guangji[ChemicalBiologyandDrugDesign,2022,vol.99,#3,p.483-495]

[20]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-WO2022/68815,2022,A1Locationinpatent:Page/Pagecolumn11-12

[21]CurrentPatentAssignee:KISKJISHANGHAIMEDICALSCIENCEANDTECH;CASCADEPHARMACEUTICALS-CN114195786,2022,ALocationinpatent:Paragraph0158;0162

[22]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-EP3957640,2022,A1Locationinpatent:Paragraph0069-0070;0073

[1]JournalofMedicinalChemistry,2015,vol.58,p.9768-9772

[2]Patent:CN106632294,2017,A

[3]JournalofMedicinalChemistry,2017,vol.60,p.9960-9973

[4]Patent:CN108218852,2018,A

[5]Patent:WO2019/89664,2019,A1

[6]Patent:WO2019/89670,2019,A1

[7]Patent:US2019/127362,2019,A1

[8]Patent:CN110452235,2019,A

[9]Patent:WO2020/249064,2020,A1

[10]JournalofMedicinalChemistry,2020,vol.63,p.12748-12772

[11]ACSMedicinalChemistryLetters,2021,vol.12,p.1413-1420

[12]ChemicalBiologyandDrugDesign,2022,vol.99,p.483-495

[1]Patent:WO2019/89664,2019,A1.Locationinpatent:Page/Pagecolumn66;67

[2]Patent:WO2019/89670,2019,A1.Locationinpatent:Page/Pagecolumn54;55

[3]Patent:US2019/127362,2019,A1.Locationinpatent:Paragraph0487-0488

[4]ACSMedicinalChemistryLetters,2021,vol.12,p.1413-1420

[5]Patent:CN112824394,2021,A.Locationinpatent:Paragraph0092;0095;0097

[6]Patent:WO2022/68815,2022,A1.Locationinpatent:Page/Pagecolumn11-12

[7]Patent:CN110452235,2019,A.Locationinpatent:Paragraph0159;0167-0169

[8]JournalofMedicinalChemistry,2015,vol.58,p.9768-9772

[9]Patent:CN106632294,2017,A.Locationinpatent:Paragraph0090;0091;0098;0099;0100;0101

[10]Patent:CN108218852,2018,A.Locationinpatent:Paragraph0144;0151;0152;0153;0154

[11]JournalofMedicinalChemistry,2020,vol.63,p.12748-12772

[12]JournalofMedicinalChemistry,2017,vol.60,p.9960-9973

[13]Patent:WO2020/249064,2020,A1.Locationinpatent:Paragraph000140;000152;000153

[14]ChemicalBiologyandDrugDesign,2022,vol.99,p.483-495

[1]Patent:CN106146483,2016,A.Locationinpatent:Paragraph0128;0132

Literature
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Tags:946426-88-6 Molecular Formula|946426-88-6 MDL|946426-88-6 SMILES|946426-88-6 Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate
Catalog No.: AA00IIC1
946426-88-6,MFCD12964218
946426-88-6 | Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate
Pack Size: 1mg
Purity: >95%
1 week
$281.00 $197.00
Pack Size: 5mg
Purity: >95%
1 week
$297.00 $208.00
Pack Size: 10mg
Purity: >95%
1 week
$327.00 $229.00
Pack Size: 500mg
Purity: >95%
1 week
$992.00 $694.00
Pack Size: 1g
Purity: >95%
1 week
$1,443.00 $1,010.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IIC1
Chemical Name: Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate
CAS Number: 946426-88-6
Molecular Formula: C14H11Cl2NO3
Molecular Weight: 312.1480
MDL Number: MFCD12964218
SMILES: COC(=O)c1c(onc1c1c(Cl)cccc1Cl)C1CC1
Properties
Complexity: 367  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
946426-88-6    946426-89-7 

[1]CurrentPatentAssignee:SHENZHENLANGRUNINVESTMENTCO.,LTD.-CN106146483,2016,ALocationinpatent:Paragraph0128;0129;0133

[2]CurrentPatentAssignee:ELANCOANIMALHEALTHINC-WO2007/92751,2007,A2Locationinpatent:Page/Pagecolumn11

[3]CurrentPatentAssignee:ELILILLY&CO-WO2009/12125,2009,A1Locationinpatent:Page/Pagecolumn23

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2019/89664,2019,A1Locationinpatent:Page/Pagecolumn66-68

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2019/89670,2019,A1Locationinpatent:Page/Pagecolumn54;55;56

[6]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2019/127362,2019,A1Locationinpatent:Paragraph0489-0490

[7]Carpenter,Joseph;Wu,Gang;Wang,Ying;Cook,EricaM.;Wang,Tao;Sitkoff,Doree;Rossi,KarenA.;Mosure,Kathy;Zhuo,Xiaoliang;Cao,GaryG.;Ziegler,Milinda;Azzara,AnthonyV.;Krupinski,Jack;Soars,MatthewG.;Ellsworth,BruceAlan;Wacker,DeanA.[ACSMedicinalChemistryLetters,2021,vol.12,#9,p.1413-1420]

[8]CurrentPatentAssignee:ELILILLY&CO-WO2009/12125,2009,A1Locationinpatent:Page/Pagecolumn57-58

[9]Li,Junyou;Liu,Mengqi;Li,Yazhou;Sun,Dan-Dan;Shu,Zhihao;Tan,Qian;Guo,Shimeng;Xie,Rongrong;Gao,Lixin;Ru,Hongbo;Zang,Yi;Liu,Hong;Li,Jia;Zhou,Yu[JournalofMedicinalChemistry,2020,vol.63,#21,p.12748-12772]

[10]CurrentPatentAssignee:ELILILLY&CO-WO2009/12125,2009,A1Locationinpatent:Page/Pagecolumn57;69-70

[11]Genin,MichaelJ.;Bueno,AnaB.;AgejasFrancisco,Javier;Manninen,PeterR.;Bocchinfuso,WayneP.;Montrose-Rafizadeh,Chahrzad;Cannady,EllenA.;Jones,TimothyM.;Stille,JohnR.;Raddad,Eyas;Reidy,Charles;Cox,Amy;Michael,M.Dodson;Michael,LauraF.[JournalofMedicinalChemistry,2015,vol.58,#24,p.9768-9772]

[12]CurrentPatentAssignee:NANJINGRUIJIEPHARMATECH-WO2020/249064,2020,A1Locationinpatent:Paragraph000140;000154;000155

[13]CurrentPatentAssignee:KISKJISHANGHAIMEDICALSCIENCEANDTECH-CN114195776,2022,ALocationinpatent:Paragraph0163;0166-0167

[14]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-CN110452235,2019,ALocationinpatent:Paragraph0159;0170-0172

[15]Tully,DavidC.;Rucker,PaulV.;Chianelli,Donatella;Williams,Jennifer;Vidal,Agnès;Alper,PhilB.;Mutnick,Daniel;Bursulaya,Badry;Schmeits,James;Wu,Xiangdong;Bao,Dingjiu;Zoll,Jocelyn;Kim,Young;Groessl,Todd;McNamara,Peter;Seidel,H.Martin;Molteni,Valentina;Liu,Bo;Phimister,Andrew;Joseph,SeanB.;Laffitte,Bryan[JournalofMedicinalChemistry,2017,vol.60,#24,p.9960-9973]

[16]CurrentPatentAssignee:NINGBOBIONASHPHARMACEUTICAL-CN106632294,2017,ALocationinpatent:Paragraph0091;0102;0103;0104;0105

[17]CurrentPatentAssignee:NINGBOBIONASHPHARMACEUTICAL-CN108218852,2018,ALocationinpatent:Paragraph0144;0155;0156;0157;0158

[18]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS);CASCADESHANGHAIPHARMACEUTICALTECH-CN112824394,2021,ALocationinpatent:Paragraph0092;0098

[19]Cai,Zongyu;Wang,Bin;Zhou,Zongtao;Zhao,Xin;Hu,Lijun;Ren,Qiang;Deng,Liming;Li,Zheng;Wang,Guangji[ChemicalBiologyandDrugDesign,2022,vol.99,#3,p.483-495]

[20]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-WO2022/68815,2022,A1Locationinpatent:Page/Pagecolumn11-12

[21]CurrentPatentAssignee:KISKJISHANGHAIMEDICALSCIENCEANDTECH;CASCADEPHARMACEUTICALS-CN114195786,2022,ALocationinpatent:Paragraph0158;0162

[22]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-EP3957640,2022,A1Locationinpatent:Paragraph0069-0070;0073

25185-95-9    946426-88-6 

[1]JournalofMedicinalChemistry,2015,vol.58,p.9768-9772

[2]Patent:CN106632294,2017,A

[3]JournalofMedicinalChemistry,2017,vol.60,p.9960-9973

[4]Patent:CN108218852,2018,A

[5]Patent:WO2019/89664,2019,A1

[6]Patent:WO2019/89670,2019,A1

[7]Patent:US2019/127362,2019,A1

[8]Patent:CN110452235,2019,A

[9]Patent:WO2020/249064,2020,A1

[10]JournalofMedicinalChemistry,2020,vol.63,p.12748-12772

[11]ACSMedicinalChemistryLetters,2021,vol.12,p.1413-1420

[12]ChemicalBiologyandDrugDesign,2022,vol.99,p.483-495

6579-27-7    32249-35-7    946426-88-6 

[1]Patent:WO2019/89664,2019,A1.Locationinpatent:Page/Pagecolumn66;67

[2]Patent:WO2019/89670,2019,A1.Locationinpatent:Page/Pagecolumn54;55

[3]Patent:US2019/127362,2019,A1.Locationinpatent:Paragraph0487-0488

[4]ACSMedicinalChemistryLetters,2021,vol.12,p.1413-1420

[5]Patent:CN112824394,2021,A.Locationinpatent:Paragraph0092;0095;0097

[6]Patent:WO2022/68815,2022,A1.Locationinpatent:Page/Pagecolumn11-12

[7]Patent:CN110452235,2019,A.Locationinpatent:Paragraph0159;0167-0169

[8]JournalofMedicinalChemistry,2015,vol.58,p.9768-9772

[9]Patent:CN106632294,2017,A.Locationinpatent:Paragraph0090;0091;0098;0099;0100;0101

[10]Patent:CN108218852,2018,A.Locationinpatent:Paragraph0144;0151;0152;0153;0154

[11]JournalofMedicinalChemistry,2020,vol.63,p.12748-12772

[12]JournalofMedicinalChemistry,2017,vol.60,p.9960-9973

[13]Patent:WO2020/249064,2020,A1.Locationinpatent:Paragraph000140;000152;000153

[14]ChemicalBiologyandDrugDesign,2022,vol.99,p.483-495

6575-28-6    32249-35-7    946426-88-6 

[1]Patent:CN106146483,2016,A.Locationinpatent:Paragraph0128;0132

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