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MedKoo Cat#: 463653 | Name: PGD97

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PGD97 is a novel potent and selective inhibitor of CAL/CFTR interaction for treatment of cystic fibrosis.

Chemical Structure

PGD97
PGD97
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463653

Name: PGD97

CAS#: unknown

Chemical Formula: C72H107N23O14S3

Exact Mass: 1613.7530

Molecular Weight: 1614.98

Elemental Analysis: C, 53.55; H, 6.68; N, 19.95; O, 13.87; S, 5.96

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
PGD97; PGD 97; PGD-97;
IUPAC/Chemical Name
(S)-2-((S)-2-((2S,3R)-2-((3R,8R,11R,14S,17S,20S,23S,29aS)-8-acetamido-23-(benzo[b]thiophen-3-ylmethyl)-11,14,17-tris(3-guanidinopropyl)-20-(naphthalen-2-ylmethyl)-1,9,12,15,18,21,24-heptaoxohexacosahydro-2H-pyrido[2,1-g][1,2]dithia[5,8,11,14,17,20,23]heptaazacyclohexacosine-3-carboxamido)-3-hydroxybutanamido)-5-guanidinopentanamido)-3,3-dimethylbutanoic acid
InChi Key
JSRPITYEGSTQSF-VGSRJSNOSA-N
InChi Code
InChI=1S/C72H107N23O14S3/c1-38(96)55(65(106)89-48(22-15-30-84-71(79)80)60(101)94-56(67(108)109)72(3,4)5)93-63(104)52-37-112-111-36-51(85-39(2)97)62(103)88-46(20-13-28-82-69(75)76)58(99)86-45(19-12-27-81-68(73)74)57(98)87-47(21-14-29-83-70(77)78)59(100)90-49(33-40-25-26-41-16-6-7-17-42(41)32-40)61(102)91-50(34-43-35-110-54-24-9-8-18-44(43)54)66(107)95-31-11-10-23-53(95)64(105)92-52/h6-9,16-18,24-26,32,35,38,45-53,55-56,96H,10-15,19-23,27-31,33-34,36-37H2,1-5H3,(H,85,97)(H,86,99)(H,87,98)(H,88,103)(H,89,106)(H,90,100)(H,91,102)(H,92,105)(H,93,104)(H,94,101)(H,108,109)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t38-,45+,46-,47+,48+,49+,50+,51+,52+,53+,55+,56-/m1/s1
SMILES Code
CC(C)(C)[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@](CCCC1)([H])N1C([C@H](CC2=CSC3=CC=CC=C32)NC([C@H](CC4=CC=C5C=CC=CC5=C4)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@@H](CCCNC(N)=N)N6)=O)=O)=O)=O)=O)=O)CSSC[C@H](NC(C)=O)C6=O)=O)[C@H](O)C)=O)CCCNC(N)=N)=O)C(O)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,614.98 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Dougherty PG, Wellmerling JH, Koley A, Lukowski JK, Hummon AB, Cormet-Boyaka E, Pei D. Cyclic Peptidyl Inhibitors against CAL/CFTR Interaction for Treatment of Cystic Fibrosis. J Med Chem. 2020 Dec 14. doi: 10.1021/acs.jmedchem.0c01528. Epub ahead of print. PMID: 33314931.