Macrocyclic HDAC6 CD2 Ligand 1 | CAS# TBD | HDAC6 CD2 ligand

MedKoo Cat#: 130485 | Name: Macrocyclic HDAC6 CD2 Ligand 1

Description:

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

Macrocyclic HDAC6 CD2 Ligand 1 is a novel macrocyclic octapeptide histone deacetylase 6 (HDAC6) catalytic domain 2 (CD2) ligand.

Chemical Structure

Macrocyclic HDAC6 CD2 Ligand 1

CAS#TBD

Theoretical Analysis

MedKoo Cat#: 130485

Name: Macrocyclic HDAC6 CD2 Ligand 1

CAS#: TBD

Chemical Formula: C42H65N11O15S

Exact Mass: 995.4382

Molecular Weight: 996.10

Elemental Analysis: C, 50.64; H, 6.58; N, 15.47; O, 24.09; S, 3.22

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

HDAC CD2, HDACCD2, HDAC-CD2, HDAC - CD2

IUPAC/Chemical Name

Cyclo[(S)-2-amino-7-mercaptoheptanoyl]

InChi Key

GFMXOPVYUBDOLS-VLWHJZKBSA-N

InChi Code

InChI=1S/C42H65N11O15S/c1-21(2)33-41(68)48-24(7-4-3-5-16-69)34(61)49-27(17-22-9-11-23(56)12-10-22)37(64)47-26(13-14-31(57)58)35(62)51-30(20-55)40(67)52-29(19-54)39(66)50-28(18-32(59)60)38(65)46-25(36(63)53-33)8-6-15-45-42(43)44/h9-12,21,24-30,33,54-56,69H,3-8,13-20H2,1-2H3,(H,46,65)(H,47,64)(H,48,68)(H,49,61)(H,50,66)(H,51,62)(H,52,67)(H,53,63)(H,57,58)(H,59,60)(H4,43,44,45)/t24-,25-,26+,27-,28+,29-,30+,33-/m0/s1

SMILES Code

OC1=CC=C(C[C@@H](C(N[C@H](CCC(O)=O)C2=O)=O)NC([C@H](CCCCCS)NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@@H](CC(O)=O)NC([C@H](CO)NC([C@@H](CO)N2)=O)=O)=O)=O)=O)=O)C=C1

Appearance

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 996.10 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.

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. Watson PR, Gupta S, Hosseinzadeh P, Brown BP, Baker D, Christianson DW. Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6. ACS Chem Biol. 2023 Apr 21;18(4):959-968. doi: 10.1021/acschembio.3c00113. Epub 2023 Apr 7. PMID: 37027789; PMCID: PMC10130746. 2. Osko JD, Christianson DW. Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6. Acta Crystallogr F Struct Biol Commun. 2020 Sep 1;76(Pt 9):428-437. doi: 10.1107/S2053230X20010250. Epub 2020 Aug 19. PMID: 32880591; PMCID: PMC7470039. 3. Philips RL, Chen MW, McWilliams DC, Belmonte PJ, Constans MM, Shapiro VS. HDAC3 Is Required for the Downregulation of RORγt during Thymocyte Positive Selection. J Immunol. 2016 Jul 15;197(2):541-54. doi: 10.4049/jimmunol.1502529. Epub 2016 Jun 8. PMID: 27279370; PMCID: PMC4940140. 4. Erter J, Alinari L, Darabi K, Gurcan M, Garzon R, Marcucci G, Bechtel MA, Wong H, Porcu P. New targets of therapy in T-cell lymphomas. Curr Drug Targets. 2010 Apr;11(4):482-93. doi: 10.2174/138945010790980376. PMID: 20196721; PMCID: PMC3953129.