179324-87-9,MFCD10566030
Catalog No.:AA0026UM

179324-87-9 | (R)-Boroleucine-(1S,2S,3R,5S)-(+)-pinanediol ester trifluoroacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$9.00   $7.00
- +
1g
97%
in stock  
$17.00   $12.00
- +
5g
97%
in stock  
$74.00   $52.00
- +
10g
97%
in stock  
$126.00   $89.00
- +
25g
97%
in stock  
$278.00   $195.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0026UM
Chemical Name:
(R)-Boroleucine-(1S,2S,3R,5S)-(+)-pinanediol ester trifluoroacetate
CAS Number:
179324-87-9
Molecular Formula:
C17H29BF3NO4
Molecular Weight:
379.2227
MDL Number:
MFCD10566030
SMILES:
OC(=O)C(F)(F)F.CC(C[C@@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)N)C
Properties
Properties
 
Form:
Solid  
MP:
157-159°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
457  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2009/20448,2009,A1Locationinpatent:Page/Pagecolumn25

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-JP2016/14038,2016,ALocationinpatent:Paragraph0085

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-KR2016/40735,2016,ALocationinpatent:Paragraph0117-0119

[4]CurrentPatentAssignee:MilleniumPharmaceuticalsInc.;Olhava,EdwardJ.;Danca,MihealaD.-2016Locationinpatent:Paragraph0117;0118;0119;0120

[5]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-JP2016/172768,2016,ALocationinpatent:Paragraph0084

[6]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-JP2018/24694,2018,ALocationinpatent:Paragraph0084;0085

[7]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US7442830,2008,B1Locationinpatent:Page/Pagecolumn21-23

[8]CurrentPatentAssignee:MilleniumPharmaceuticalsInc.;Olhava,EdwardJ.;Danca,MihealaD.-2016Locationinpatent:Paragraph0117;0118;0119;0120

[9]Lei,Meng;Feng,Huayun;Bai,Enhe;Zhou,Hui;Wang,Jia;Shi,Jingmiao;Wang,Xueyuan;Hu,Shihe;Liu,Zhaogang;Zhu,Yongqiang[BioorganicandMedicinalChemistry,2018,vol.26,#14,p.3975-3981]

[10]Lei,Meng;Feng,Huayun;Bai,Enhe;Zhou,Hui;Wang,Jia;Qin,Yanru;Zhang,Haoyang;Wang,Xueyuan;Liu,Zhaogang;Hai,Ou;Liu,Jia;Zhu,Yongqiang[OrganicandBiomolecularChemistry,2019,vol.17,#3,p.683-691]

[1]Locationinpatent:experimentalpartIvanov,AndreyS.;Zhalnina,AnnaA.;Shishkov,SergeyV.[Tetrahedron,2009,vol.65,#34,p.7105-7108]

[2]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.;BUCKSTERESAANNE-WO2009/4350,2009,A1Locationinpatent:Page/Pagecolumn11;12

[3]CurrentPatentAssignee:SHENZHENTARGETRXINC-EP3476850,2019,A1Locationinpatent:Paragraph0038;0044

[4]CurrentPatentAssignee:DRREDDY'SLABORATORIESLIMITED-WO2009/36281,2009,A2Locationinpatent:Page/Pagecolumn36

[5]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-US2013/85277,2013,A1Locationinpatent:Paragraph0044

[6]Tan,Joanne;Grouleff,JulieJ.;Jitkova,Yulia;Diaz,DiegoB.;Griffith,ElizabethC.;Shao,Wenjie;Bogdanchikova,AnastasiaF.;Poda,Gennady;Schimmer,AaronD.;Lee,RichardE.;Yudin,AndreiK.[JournalofMedicinalChemistry,2019,vol.62,#13,p.6377-6390]

(aR,3aS,4S,6S,7aR)-hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine2,2,2-trifluoroacetate 
  667403-46-5    1201903-02-7 

[1]Patent:WO2016/155684,2016,A1.Locationinpatent:Page/Pagecolumn2;3;9

[2]Patent:CN106916177,2017,A.Locationinpatent:Paragraph0156;0162;0163;0164

[3]Patent:WO2009/154737,2009,A1.Locationinpatent:Page/Pagecolumn62

[4]Patent:WO2018/173071,2018,A1.Locationinpatent:Page/Pagecolumn16;17

179324-87-9    1918989-80-6   
CASUnavailable 

[1]Lei,Meng;Feng,Huayun;Wang,Cheng;Li,Hailing;Shi,Jingmiao;Wang,Jia;Liu,Zhaogang;Chen,Shanshan;Hu,Shihe;Zhu,Yongqiang[BioorganicandMedicinalChemistry,2016,vol.24,#11,p.2576-2588]

[2]CurrentPatentAssignee:NANJINGFORESTRYUNIVERSITY-CN105732683,2016,ALocationinpatent:Paragraph0173;0174;0175

(aR,3aS,4S,6S,7aR)-hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine2,2,2-trifluoroacetate 
  667403-46-5    7732-18-5    77-92-9   
2,2’-{2-(1R)-1-((2,5-dichlorobenzoyl)aminoacetyl}amino)-3-methylbutyl-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diaceticacid 

[1]Patent:WO2019/43544,2019,A1.Locationinpatent:Page/Pagecolumn4;5

Literature
Quotation Request
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Additional Info:
SDS
Tags:179324-87-9 Molecular Formula|179324-87-9 MDL|179324-87-9 SMILES|179324-87-9 (R)-Boroleucine-(1S,2S,3R,5S)-(+)-pinanediol ester trifluoroacetate
Catalog No.: AA0026UM
179324-87-9,MFCD10566030
179324-87-9 | (R)-Boroleucine-(1S,2S,3R,5S)-(+)-pinanediol ester trifluoroacetate
Pack Size: 250mg
Purity: 97%
in stock
$9.00 $7.00
Pack Size: 1g
Purity: 97%
in stock
$17.00 $12.00
Pack Size: 5g
Purity: 97%
in stock
$74.00 $52.00
Pack Size: 10g
Purity: 97%
in stock
$126.00 $89.00
Pack Size: 25g
Purity: 97%
in stock
$278.00 $195.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0026UM
Chemical Name: (R)-Boroleucine-(1S,2S,3R,5S)-(+)-pinanediol ester trifluoroacetate
CAS Number: 179324-87-9
Molecular Formula: C17H29BF3NO4
Molecular Weight: 379.2227
MDL Number: MFCD10566030
SMILES: OC(=O)C(F)(F)F.CC(C[C@@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)N)C
Properties
Form: Solid  
MP: 157-159°C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 457  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 5  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 3  
Downstream Synthesis Route
4530-20-5    179324-87-9    847494-18-2 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2009/20448,2009,A1Locationinpatent:Page/Pagecolumn25

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-JP2016/14038,2016,ALocationinpatent:Paragraph0085

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-KR2016/40735,2016,ALocationinpatent:Paragraph0117-0119

[4]CurrentPatentAssignee:MilleniumPharmaceuticalsInc.;Olhava,EdwardJ.;Danca,MihealaD.-2016Locationinpatent:Paragraph0117;0118;0119;0120

[5]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-JP2016/172768,2016,ALocationinpatent:Paragraph0084

[6]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-JP2018/24694,2018,ALocationinpatent:Paragraph0084;0085

[7]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US7442830,2008,B1Locationinpatent:Page/Pagecolumn21-23

[8]CurrentPatentAssignee:MilleniumPharmaceuticalsInc.;Olhava,EdwardJ.;Danca,MihealaD.-2016Locationinpatent:Paragraph0117;0118;0119;0120

[9]Lei,Meng;Feng,Huayun;Bai,Enhe;Zhou,Hui;Wang,Jia;Shi,Jingmiao;Wang,Xueyuan;Hu,Shihe;Liu,Zhaogang;Zhu,Yongqiang[BioorganicandMedicinalChemistry,2018,vol.26,#14,p.3975-3981]

[10]Lei,Meng;Feng,Huayun;Bai,Enhe;Zhou,Hui;Wang,Jia;Qin,Yanru;Zhang,Haoyang;Wang,Xueyuan;Liu,Zhaogang;Hai,Ou;Liu,Jia;Zhu,Yongqiang[OrganicandBiomolecularChemistry,2019,vol.17,#3,p.683-691]

76-05-1    514820-48-5    179324-87-9 

[1]Locationinpatent:experimentalpartIvanov,AndreyS.;Zhalnina,AnnaA.;Shishkov,SergeyV.[Tetrahedron,2009,vol.65,#34,p.7105-7108]

[2]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.;BUCKSTERESAANNE-WO2009/4350,2009,A1Locationinpatent:Page/Pagecolumn11;12

[3]CurrentPatentAssignee:SHENZHENTARGETRXINC-EP3476850,2019,A1Locationinpatent:Paragraph0038;0044

[4]CurrentPatentAssignee:DRREDDY'SLABORATORIESLIMITED-WO2009/36281,2009,A2Locationinpatent:Page/Pagecolumn36

[5]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-US2013/85277,2013,A1Locationinpatent:Paragraph0044

[6]Tan,Joanne;Grouleff,JulieJ.;Jitkova,Yulia;Diaz,DiegoB.;Griffith,ElizabethC.;Shao,Wenjie;Bogdanchikova,AnastasiaF.;Poda,Gennady;Schimmer,AaronD.;Lee,RichardE.;Yudin,AndreiK.[JournalofMedicinalChemistry,2019,vol.62,#13,p.6377-6390]

(aR,3aS,4S,6S,7aR)-hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine2,2,2-trifluoroacetate 
  667403-46-5    1201903-02-7 

[1]Patent:WO2016/155684,2016,A1.Locationinpatent:Page/Pagecolumn2;3;9

[2]Patent:CN106916177,2017,A.Locationinpatent:Paragraph0156;0162;0163;0164

[3]Patent:WO2009/154737,2009,A1.Locationinpatent:Page/Pagecolumn62

[4]Patent:WO2018/173071,2018,A1.Locationinpatent:Page/Pagecolumn16;17

179324-87-9    1918989-80-6   
CASUnavailable 

[1]Lei,Meng;Feng,Huayun;Wang,Cheng;Li,Hailing;Shi,Jingmiao;Wang,Jia;Liu,Zhaogang;Chen,Shanshan;Hu,Shihe;Zhu,Yongqiang[BioorganicandMedicinalChemistry,2016,vol.24,#11,p.2576-2588]

[2]CurrentPatentAssignee:NANJINGFORESTRYUNIVERSITY-CN105732683,2016,ALocationinpatent:Paragraph0173;0174;0175

(aR,3aS,4S,6S,7aR)-hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine2,2,2-trifluoroacetate 
  667403-46-5    7732-18-5    77-92-9   
2,2’-{2-(1R)-1-((2,5-dichlorobenzoyl)aminoacetyl}amino)-3-methylbutyl-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diaceticacid 

[1]Patent:WO2019/43544,2019,A1.Locationinpatent:Page/Pagecolumn4;5

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