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UNC10245131
AOB12015
CAS N/A
Chemical Name: (3S,6S,9S,12S,15S,18S,21R,27S,30S,33S,38aS)-6,18-bis((1H-indol-3-yl)methyl)-15-(2-amino-2-oxoethyl)-33-(3-amino-3-oxopropyl)-30-(4-aminobutyl)-12-((S)-sec-butyl)-3,27-bis(4-hydroxybenzyl)-9-isobutyl-1,4,7,10,13,16,19,25,28,31,34-undecaoxohexatriacontahydro-24H-pyrrolo[1,2-m][1]thia[4,7,10,13,16,19,22,25,28,31,34]undecaazacyclohexatriacontine-21-carboxamide
1000 Items
Quantity Discount Table - Order More To Get More Price Discount
| Quantity | mg | Unit Price ($/mg or $/Unit) | Final Price |
|---|---|---|---|
| 1 | 5 | $143.65 | Total: $718.25 |
| 1 | 10 | $121.68 | Total: $1,216.80 |
| 1 | 25 | $103.09 | Total: $2,577.25 |
| 1 | 50 | $87.88 | Total: $4,394.00 |
| 1 | 100 | $76.05 | Total: $7,605.00 |
Overview
Novel potent and selective cyclic peptide inhibitor of CIB1, lacking cytotoxicity and not affecting downstream signaling
Chemical Properties
| Molecular Formula | C77H101N17O16S |
| Molecular Weight | 1552.818 |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| IUPAC/Chemical Name | (3S,6S,9S,12S,15S,18S,21R,27S,30S,33S,38aS)-6,18-bis((1H-indol-3-yl)methyl)-15-(2-amino-2-oxoethyl)-33-(3-amino-3-oxopropyl)-30-(4-aminobutyl)-12-((R)-sec-butyl)-3,27-bis(4-hydroxybenzyl)-9-isobutyl-1,4,7,10,13,16,19,25,28,31,34-undecaoxohexatriacontahydro-24H-pyrrolo[1,2-m][1]thia[4,7,10,13,16,19,22,25,28,31,34]undecaazacyclohexatriacontine-21-carboxamide |
| InChl Key | OXUXPTUFCMUFKD-AFNVEMBBSA-N |
| InChl Code | InChI=1S/C77H101N17O16S/c1-5-42(4)66-76(109)91-60(36-64(80)98)73(106)89-59(35-46-38-83-52-16-9-7-14-50(46)52)72(105)92-61(67(81)100)39-111-40-65(99)84-56(32-43-19-23-47(95)24-20-43)69(102)85-53(17-10-11-29-78)68(101)86-54(27-28-63(79)97)77(110)94-30-12-18-62(94)75(108)90-57(33-44-21-25-48(96)26-22-44)70(103)88-58(34-45-37-82-51-15-8-6-13-49(45)51)71(104)87-55(31-41(2)3)74(107)93-66/h6-9,13-16,19-26,37-38,41-42,53-62,66,82-83,95-96H,5,10-12,17-18,27-36,39-40,78H2,1-4H3,(H2,79,97)(H2,80,98)(H2,81,100)(H,84,99)(H,85,102)(H,86,101)(H,87,104)(H,88,103)(H,89,106)(H,90,108)(H,91,109)(H,92,105)(H,93,107)/t42-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,66+/m1/s1 |
| SMILES Code | O=C([C@H]1NC([C@H](CC2=CNC3=C2C=CC=C3)NC([C@H](CC(N)=O)NC([C@H]([C@H](C)CC)NC([C@H](CC(C)C)NC([C@H](CC4=CNC5=C4C=CC=C5)NC([C@H](CC6=CC=C(O)C=C6)NC([C@@](CCC7)([H])N7C([C@H](CCC(N)=O)NC([C@H](CCCCN)NC([C@H](CC8=CC=C(O)C=C8)NC(CSC1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N |
Storage and Handling
0°C (short term), -20°C (long term), desiccated
Synonyms
UNC10245131; UNC 10245131; UNC-10245131
References
1) Haberman VA, Fleming SR, Leisner TM, Puhl AC, Feng E, Xie L, Chen X, Goto Y, Suga H, Parise LV, Kireev D, Pearce KH, Bowers AA. Discovery and Development of Cyclic Peptide Inhibitors of CIB1. ACS Med Chem Lett. 2021 Oct 27;12(11):1832-1839. doi: 10.1021/acsmedchemlett.1c00438. PMID: 34795874; PMCID: PMC8591747.