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Enzyme Inhibitors

UNC10245131 View larger

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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$169.00

$169.00 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

Data sheet

Molecular FormulaC77H101N17O16S
Molecular Weight1552.818
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
SynonymUNC10245131; 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 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
References1) 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.

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Novel potent and selective cyclic peptide inhibitor of CIB1, lacking cytotoxicity and not affecting downstream signaling