13PCSK9i

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Hodoodo CAT#: H208136

CAS#: 2428503-34-6

Description: 13PCSK9i is a nonbiologic agent capable of disrupting the PCSK9-LDLR interaction in vivo. In mice, 13PCSK9i reduces plasma cholesterol levels and increases hepatic LDLR density in a dose-dependent manner. 13PCSK9i functions by a unique, allosteric mechanism and is the smallest molecule identified to date with in vivo PCSK9-LDLR disruptor function.

Chemical Structure

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13PCSK9i
CAS# 2428503-34-6
Instruction

Theoretical Analysis

Hodoodo Cat#: H208136
Name: 13PCSK9i
CAS#: 2428503-34-6
Chemical Formula: C85H110N14O18S
Exact Mass: 1,646.78
Molecular Weight: 1,647.960
Elemental Analysis: C, 61.95; H, 6.73; N, 11.90; O, 17.48; S, 1.95

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: 13-PCSK9i, 13PCS-K9i, 13 PCSK9i, 13 PCS K9i, 13-PCS-K9i, 13-PCS K9i

IUPAC/Chemical Name: 3-((6S,9S,12S,15S,18S,21S,24S,27S,29aS,35S,38S,44R,46aS)-15,21-bis([1,1'-biphenyl]-4-ylmethyl)-38-benzyl-44-(ethylcarbamoyl)-24,27-bis((R)-1-hydroxyethyl)-35-isopropyl-6,12,13,18,19-pentamethyl-5,8,11,14,17,20,23,26,29,34,37,40,46-tridecaoxotetratetracontahydro-5H-dipyrrolo[2,1-f:2',1'-g1][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40]tridecaazacyclodotetracontin-9-yl)propanoic acid

InChi Key: KKTRCZWTWYYSCY-YMQACAQUSA-N

InChi Code: InChI=1S/C85H110N14O18S/c1-11-86-75(107)65-46-118-47-68(102)88-62(43-54-23-15-12-16-24-54)77(109)93-70(48(2)3)85(117)99-42-22-30-67(99)79(111)94-72(53(8)101)81(113)95-71(52(7)100)80(112)91-64(45-56-33-37-60(38-34-56)58-27-19-14-20-28-58)84(116)97(10)51(6)74(106)90-63(44-55-31-35-59(36-32-55)57-25-17-13-18-26-57)83(115)96(9)50(5)73(105)89-61(39-40-69(103)104)76(108)87-49(4)82(114)98-41-21-29-66(98)78(110)92-65/h12-20,23-28,31-38,48-53,61-67,70-72,100-101H,11,21-22,29-30,39-47H2,1-10H3,(H,86,107)(H,87,108)(H,88,102)(H,89,105)(H,90,106)(H,91,112)(H,92,110)(H,93,109)(H,94,111)(H,95,113)(H,103,104)/t49-,50-,51-,52+,53+,61-,62-,63-,64-,65-,66-,67-,70-,71-,72-/m0/s1

SMILES Code: O=C1N2[C@](C(=O)N[C@@]([C@@H](C)O)(C(=O)N[C@@]([C@@H](C)O)(C(=O)N[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N7[C@](C(=O)N[C@H](C(NCC)=O)CSCC(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@H]1C(C)C)(CCC7)[H])[H])[H])(CCC2)[H]

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 1,647.96 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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Brousseau ME, Clairmont KB, Spraggon G, Flyer AN, Golosov AA, Grosche P, Amin J, Andre J, Burdick D, Caplan S, Chen G, Chopra R, Ames L, Dubiel D, Fan L, Gattlen R, Kelly-Sullivan D, Koch AW, Lewis I, Li J, Liu E, Lubicka D, Marzinzik A, Nakajima K, Nettleton D, Ottl J, Pan M, Patel T, Perry L, Pickett S, Poirier J, Reid PC, Pelle X, Seepersaud M, Subramanian V, Vera V, Xu M, Yang L, Yang Q, Yu J, Zhu G, Monovich LG. Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol. 2022 Feb 17;29(2):249-258.e5. doi: 10.1016/j.chembiol.2021.08.012. Epub 2021 Sep 20. PMID: 34547225.