UNC10245131

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

More details

1000 Items

$219.70

$219.70 per mg

Quantity Discount Table - Order More To Get More Price Discount

QuantitymgUnit Price ($/mg or $/Unit)Final Price
15 $143.65 Total: $718.25
110 $121.68 Total: $1,216.80
125 $103.09 Total: $2,577.25
150 $87.88 Total: $4,394.00
1100 $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 FormulaC77H101N17O16S
Molecular Weight1552.818
SolubilityDMSO
Purity98% 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 KeyOXUXPTUFCMUFKD-AFNVEMBBSA-N
InChl CodeInChI=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 CodeO=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.