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MedKoo Cat#: 464584 | Name: PBI-4DNJ-2

Description:

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

PBI-4DNJ-2 is a glycosidase inhibitor. PBI-4DNJ-2 exhibited positional isomeric effects on the optical properties, glycosidase inhibition activity, and hypoglycemic effects. PBI-4DNJ-2 showed very good glycosidase inhibition activity against α-mannosidase (jack bean) with a Ki value of 17 nM, 10-fold greater than the activity of PBI-4DNJ-1.

Chemical Structure

PBI-4DNJ-2
PBI-4DNJ-2
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464584

Name: PBI-4DNJ-2

CAS#: unknown

Chemical Formula: C84H96Cl2N18O24

Exact Mass: 1810.6222

Molecular Weight: 1812.69

Elemental Analysis: C, 55.66; H, 5.34; Cl, 3.91; N, 13.91; O, 21.18

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
PBI-4DNJ-2; PB-4DNJ-2; PBI 4DNJ-2; PBI-4DNJ2; PBI-4DNJ 2; PBI4DNJ2; PBI 4DNJ 2;
IUPAC/Chemical Name
5,6-dichloro-12,13-bis(4-((1-(3-((2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)phenoxy)-2,9-bis((1-(3-((2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
InChi Key
YIGMADKVDVREGW-KXHHCGPPSA-N
InChi Code
InChI=1S/C84H96Cl2N18O24/c85-53-21-49-65-51(83(123)103(81(49)121)29-41-25-99(91-87-41)17-1-13-95-31-59(109)77(117)73(113)55(95)35-105)23-63(127-47-9-5-45(6-10-47)125-39-43-27-101(93-89-43)19-3-15-97-33-61(111)79(119)75(115)57(97)37-107)69-70-64(128-48-11-7-46(8-12-48)126-40-44-28-102(94-90-44)20-4-16-98-34-62(112)80(120)76(116)58(98)38-108)24-52-66-50(22-54(86)68(72(66)70)67(53)71(65)69)82(122)104(84(52)124)30-42-26-100(92-88-42)18-2-14-96-32-60(110)78(118)74(114)56(96)36-106/h5-12,21-28,55-62,73-80,105-120H,1-4,13-20,29-40H2/t55-,56-,57-,58-,59+,60+,61+,62+,73-,74-,75-,76-,77-,78-,79-,80-/m1/s1
SMILES Code
ClC1=C2C3=C(Cl)C=C(C(N(CC4=CN(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)N=N4)C6=O)=O)C7=C6C=C(OC8=CC=C(OCC9=CN(CCCN%10C[C@H](O)[C@@H](O)[C@H](O)[C@H]%10CO)N=N9)C=C8)C(C%11=C2C(C%12=C1)=C(C(N(CC%13=CN(CCCN%14C[C@H](O)[C@@H](O)[C@H](O)[C@H]%14CO)N=N%13)C%12=O)=O)C=C%11OC%15=CC=C(OCC%16=CN(CCCN%17C[C@H](O)[C@@H](O)[C@H](O)[C@H]%17CO)N=N%16)C=C%15)=C37
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

Preparing Stock Solutions

The following data is based on the product molecular weight 1,812.69 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: Li RF, Yang JX, Liu J, Ai GM, Zhang HY, Xu LY, Chen SB, Zhang HX, Li XL, Cao ZR, Wang KR. Positional Isomeric Effects on the Optical Properties, Multivalent Glycosidase Inhibition Effect, and Hypoglycemic Effect of Perylene Bisimide- deoxynojirimycin Conjugates. J Med Chem. 2021 Apr 22. doi: 10.1021/acs.jmedchem.1c00036. Epub ahead of print. PMID: 33886333.