WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H524703
CAS#: 158198-48-2
Description: Chir 4531 is a N-(substituted)glycine peptoid trimer.
Hodoodo Cat#: H524703
Name: Chir 4531
CAS#: 158198-48-2
Chemical Formula: C36H38N4O6
Exact Mass: 622.28
Molecular Weight: 622.710
Elemental Analysis: C, 69.44; H, 6.15; N, 9.00; O, 15.42
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.
Synonym: Chir 4531; Chir4531; Chir-4531.
IUPAC/Chemical Name: Glycinamide, N-(2,2-diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)-
InChi Key: GANLUHRILMMVRH-DHUJRADRSA-N
InChi Code: InChI=1S/C36H38N4O6/c37-20-31(42)35(36(44)40(34(43)21-38)23-30(27-7-3-1-4-8-27)28-9-5-2-6-10-28)39(18-17-25-11-14-29(41)15-12-25)22-26-13-16-32-33(19-26)46-24-45-32/h1-16,19,30,35,41H,17-18,20-24,37-38H2/t35-/m0/s1
SMILES Code: C([C@@H]([N@@](CCc1ccc(cc1)O)Cc1cc2OCOc2cc1)C(CN)=O)(=O)N(CC(c1ccccc1)c1ccccc1)C(CN)=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, not in water
Shelf Life: >2 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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 622.71 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: Bradley EK, Kerr JM, Richter LS, Figliozzi GM, Goff DA, Zuckermann RN, Spellmeyer DC, Blaney JM. NMR structural characterization of oligo-N-substituted glycine lead compounds from a combinatorial library. Mol Divers. 1997;3(1):1-15. PubMed PMID: 9527473.
2: Zuckermann RN, Martin EJ, Spellmeyer DC, Stauber GB, Shoemaker KR, Kerr JM, Figliozzi GM, Goff DA, Siani MA, Simon RJ, et al. Discovery of nanomolar ligands for 7-transmembrane G-protein-coupled receptors from a diverse N-(substituted)glycine peptoid library. J Med Chem. 1994 Aug 19;37(17):2678-85. PubMed PMID: 8064796.
