WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130485
CAS#: TBD
Description: Macrocyclic HDAC6 CD2 Ligand 1 is a novel macrocyclic octapeptide histone deacetylase 6 (HDAC6) catalytic domain 2 (CD2) ligand.
Hodoodo Cat#: H130485
Name: Macrocyclic HDAC6 CD2 Ligand 1
CAS#: TBD
Chemical Formula: C42H65N11O15S
Exact Mass: 995.44
Molecular Weight: 996.104
Elemental Analysis: C, 50.64; H, 6.58; N, 15.47; O, 24.09; S, 3.22
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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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
