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Biotin-hexanamide- (L-Thyroxine)

CAT: 0804-HY-18341F1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18341F1-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Biotin-hexanamide- (L-Thyroxine) is biotinylated L-Thyroxine. L-Thyroxine (Levothyroxine; T4) is a synthetic hormone for the research of hypothyroidism[1].
CAS Number
2278192-78-0
UNSPSC
12171500
Target
Thyroid Hormone Receptor
Type
Dye Reagents
Related Pathways
Vitamin D Related/Nuclear Receptor
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/biotin-hexanamide-l-thyroxine.html
Purity
98.60
Solubility
DMF : 25 mg/mL (ultrasonic) |DMSO : 100 mg/mL (ultrasonic)
Smiles
IC(C=C1C[C@@H](C(O)=O)NC(CCCCCNC(CCCC[C@H]2[C@]3([H])[C@](NC(N3)=O)([H])CS2)=O)=O)=C(C(I)=C1)OC4=CC(I)=C(C(I)=C4)O
Molecular Formula
C31H36I4N4O7S
Molecular Weight
1116.32
References & Citations
[1]Arici M, et al. Association between genetic polymorphism and levothyroxine bioavailability in hypothyroid patients. Endocr J. 2018 Mar 28;65 (3) :317-323.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Biotin-hexanamide-(L-Thyroxine)
CAS Number2278192-78-0
PubChem CID169450624
IUPAC Name(2S)-2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular FormulaC31H36I4N4O7S
Molecular Weight1116.3
XLogP5.8
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count47
Formal Charge0
Complexity1060
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)N[C@@H](CC3=CC(=C(C(=C3)I)OC4=CC(=C(C(=C4)I)O)I)I)C(=O)O)NC(=O)N2
InChI
InChI=1S/C31H36I4N4O7S/c32-18-13-17(14-19(33)28(18)42)46-29-20(34)10-16(11-21(29)35)12-22(30(43)44)37-26(41)8-2-1-5-9-36-25(40)7-4-3-6-24-27-23(15-47-24)38-31(45)39-27/h10-11,13-14,22-24,27,42H,1-9,12,15H2,(H,36,40)(H,37,41)(H,43,44)(H2,38,39,45)/t22-,23-,24-,27-/m0/s1
InChIKey
JJYXTZZHRVXYDU-TTZMFTMZSA-N
Chemical Structure
2D Structure
2D structure of Biotin-hexanamide-(L-Thyroxine)
CAS: 2278192-78-0
CID: 169450624
Formula: C31H36I4N4O7S
MW: 1116.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1116.3
XLogP35.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass1115.8484
Monoisotopic Mass1115.8484
Topological Polar Surface Area191 Ų
Heavy Atom Count47
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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