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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
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Quantity Discount Table - Order More To Get More Price Discount
| Quantity | mg | Unit Price ($/mg or $/Unit) | Final Price |
|---|---|---|---|
| 1 | 100 | $76.05 | Total: $7,605.00 |
| 1 | 50 | $87.88 | Total: $4,394.00 |
| 1 | 25 | $103.09 | Total: $2,577.25 |
| 1 | 10 | $121.68 | Total: $1,216.80 |
| 1 | 5 | $143.65 | Total: $718.25 |
Data sheet
| Molecular Formula | C77H101N17O16S |
| Molecular Weight | 1552.818 |
| Storage Condition | 0°C (short term), -20°C (long term), desiccated |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| Synonym | UNC10245131; UNC 10245131; UNC-10245131 |
| 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 |
| 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. |
More info
Novel potent and selective cyclic peptide inhibitor of CIB1, lacking cytotoxicity and not affecting downstream signaling