MedKoo Cat#: 125920 | Name: NICE 01
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Description:

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

NICE 01 is a bifunctional molecule consisting of (+)-JQ1 and AP 1867 with a PEG2-diamine linker. It is a heterobifunctional compound for nuclear import of FKBP F36V tagged proteins.

Chemical Structure

NICE 01
NICE 01
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 125920

Name: NICE 01

CAS#: N/A

Chemical Formula: C63H76ClN7O13S

Exact Mass: 1205.4910

Molecular Weight: 1206.85

Elemental Analysis: C, 62.70; H, 6.35; Cl, 2.94; N, 8.12; O, 17.23; S, 2.66

Price and Availability

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5mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
NICE 01; NICE-01; NICE01
IUPAC/Chemical Name
(R)-1-(3-((14-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-2,13-dioxo-6,9-dioxa-3,12-diazatetradecyl)oxy)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate
InChi Key
USCBOLCYUGPYAF-YUZLDYPQSA-N
InChi Code
InChI=1S/C63H76ClN7O13S/c1-10-47(44-34-53(78-7)59(80-9)54(35-44)79-8)61(74)70-27-12-11-16-49(70)63(75)84-50(23-17-41-18-24-51(76-5)52(32-41)77-6)43-14-13-15-46(33-43)83-37-56(73)66-26-29-82-31-30-81-28-25-65-55(72)36-48-60-69-68-40(4)71(60)62-57(38(2)39(3)85-62)58(67-48)42-19-21-45(64)22-20-42/h13-15,18-22,24,32-35,47-50H,10-12,16-17,23,25-31,36-37H2,1-9H3,(H,65,72)(H,66,73)/t47-,48-,49-,50+/m0/s1
SMILES Code
O=C(O[C@H](CCC1=CC=C(C(OC)=C1)OC)C2=CC=CC(OCC(NCCOCCOCCNC(C[C@H]3C4=NN=C(N4C5=C(C(C6=CC=C(C=C6)Cl)=N3)C(C)=C(S5)C)C)=O)=O)=C2)[C@H]7N(CCCC7)C([C@@H](CC)C8=CC(OC)=C(C(OC)=C8)OC)=O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 1,206.85 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