CAS 2717490-36-1

Formula: C74H111N23O14S3

InChI: InChI=1S/C74H111N23O14S3/c1-39(98)55(65(107)91-49(24-17-32-86-72(81)82)61(103)96-57(68(110)111)73(3,4)5)94-66(108)56-74(6,7)114-113-38-52(87-40(2)99)63(105)90-47(22-15-30-84-70(77)78)59(101)88-46(21-14-29-83-69(75)76)58(100)89-48(23-16-31-85-71(79)80)60(102)92-50(35-41-27-28-42-18-8-9-19-43(42)34-41)62(104)93-51(36-44-37-112-54-26-11-10-20-45(44)54)67(109)97-33-13-12-25-53(97)64(106)95-56/h8-11,18-20,26-28,34,37,39,46-53,55-57,98H,12-17,21-25,29-33,35-36,38H2,1-7H3,(H,87,99)(H,88,101)(H,89,100)(H,90,105)(H,91,107)(H,92,102)(H,93,104)(H,94,108)(H,95,106)(H,96,103)(H,110,111)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t39-,46+,47-,48+,49+,50+,51+,52+,53+,55+,56-,57-/m1/s1

InChI key: SJMCWKDUVMZJMI-ZMHOLRAJSA-N

SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)(C)C)NC(=O)[C@@H]1C(SSC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCCC[C@H]2C(=O)N1)CC3=CSC4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C)(C)C)O

PGD97

CAS: 2717490-36-1

PGD97 is a selective cyclic peptide inhibitor targeting the CAL/CFTR interaction, with its desulfurization-cyclized form exhibiting a KD value of 6 nM for the CAL PDZ domain. It shows a selectivity of at least 130-fold over the NHERF1/2 PDZ domains. PGD97 stabilizes F508del-CFTR on the cell membrane, enhancing CFTR function necessary for normal pulmonary fluid balance. This compound is applicable in cystic fibrosis research.

Formula: C₇₄H₁₁₁N₂₃O₁₄S₃

Molecular weight: 1643.01

Ref: TM-TP3018