MedKoo Cat#: 127595 | Name: Fumarate hydratase-IN-1
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Description:

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

Fumarate hydratase-IN-1 (compound 2) is a cell-permeable fumarate hydratase inhibitor.

Chemical Structure

Fumarate hydratase-IN-1
Fumarate hydratase-IN-1
CAS#1644060-37-6

Theoretical Analysis

MedKoo Cat#: 127595

Name: Fumarate hydratase-IN-1

CAS#: 1644060-37-6

Chemical Formula: C27H30N2O4

Exact Mass: 446.2206

Molecular Weight: 446.55

Elemental Analysis: C, 72.62; H, 6.77; N, 6.27; O, 14.33

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
25mg USD 950.00 2 Weeks
100mg USD 1,650.00 2 Weeks
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Related CAS #
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Synonym
Fumarate hydratase-IN-1; Fumarate hydratase IN-1; Fumarate hydratase IN 1
IUPAC/Chemical Name
ethyl (3S,3aR)-1-([1,1'-biphenyl]-4-ylmethyl)-3-(2-(methylamino)-2-oxoethyl)-2-oxo-1,2,3,4,5,6-hexahydro-3aH-indole-3a-carboxylateethyl (3S,3aR)-1-([1,1'-biphenyl]-4-ylmethyl)-3-(2-(methylamino)-2-oxoethyl)-2-oxo-1,2,3,4,5,6-hexahydro-3aH-indole-3a-carboxylate
InChi Key
VFGLXHHVYNTCPD-AJTFRIOCSA-N
InChi Code
InChI=1S/C27H30N2O4/c1-3-33-26(32)27-16-8-7-11-23(27)29(25(31)22(27)17-24(30)28-2)18-19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-6,9-15,22H,3,7-8,16-18H2,1-2H3,(H,28,30)/t22-,27-/m1/s1
SMILES Code
O=C(OCC)[C@]1([C@H](CC(NC)=O)C2=O)C(N2CC(C=C3)=CC=C3C4=CC=CC=C4)=CCCC1
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 446.55 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