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HEX-3

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HEX3 is a fragment of the adenoviral hexon which is the major capsid protein found in Adenoviruses and is comprised of three identical polypeptide chains.

Category
Peptide Inhibitors
Catalog number
BAT-010504
CAS number
688805-40-5
Molecular Formula
C47H78N12O14
Molecular Weight
1035.19
HEX-3
IUPAC Name
2-ethyl-2-methyl-4-[4-methyl-3-[2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-[2-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)phenyl]ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]phenyl]butanoic acid;2-(hydroxymethyl)-2-methyl-4-[4-methyl-3-[2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]phenyl]butanoic acid
Synonyms
HEX 3; HEX3; Lys-Tyr-Ser-Pro-Ser-Asn-Val-Lys-Ile; L-lysyl-L-tyrosyl-L-seryl-L-prolyl-L-seryl-L-asparaginyl-L-valyl-L-lysyl-L-isoleucine
Appearance
White Lyophilized Powder
Purity
≥95%
Density
1.300±0.06 g/cm3
Boiling Point
1493.4±65.0°C at 760 mmHg
Sequence
KYSPSNVKI
Storage
Store at -20°C
Solubility
Soluble in DMSO, Water
InChI
InChI=1S/C47H78N12O14/c1-5-26(4)38(47(72)73)58-40(65)30(12-7-9-19-49)52-45(70)37(25(2)3)57-42(67)32(22-36(51)63)54-43(68)33(23-60)55-44(69)35-13-10-20-59(35)46(71)34(24-61)56-41(66)31(21-27-14-16-28(62)17-15-27)53-39(64)29(50)11-6-8-18-48/h14-17,25-26,29-35,37-38,60-62H,5-13,18-24,48-50H2,1-4H3,(H2,51,63)(H,52,70)(H,53,64)(H,54,68)(H,55,69)(H,56,66)(H,57,67)(H,58,65)(H,72,73)/t26-,29-,30-,31-,32-,33-,34-,35-,37-,38-/m0/s1
InChI Key
DTOKERRUIOKYER-XCWHROCZSA-N
Canonical SMILES
O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC2=CC=C(O)C=C2)CO)CCC1)CO)CC(=O)N)C(C)C)CCCCN)C(C)CC
1. rac-2-tert-Butyl-2,4,5,6,6-penta-chloro-cyclo-hex-3-en-1-one
Elmar Y Mammadov, Mirza A Allahverdiyev, Ayten R Askerova, Bahruz A Rashidov, Abel M Maharramov Acta Crystallogr Sect E Struct Rep Online . 2011 Apr 1;67(Pt 4):o881. doi: 10.1107/S160053681100897X.
The title compound, C(10)H(11)Cl(5)O, is a chiral mol-ecule with two stereogenic centres. However, it crystallizes as a racemate. One of enanti-omers reveals the relative configuration (2S*,5R*). The cyclo-hexene ring adopts a half-chair conformation.
2. N-[4-Acetyl-5-(2-methylprop-1-enyl)-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide
Lahcen El Ammari, Ahmed Benharref, Slimane Dahaoui, Nouzha Bouhmaida, Moha Berraho, Noureddine Mazoir Acta Crystallogr Sect E Struct Rep Online . 2009 May 14;65(Pt 6):o1269-70. doi: 10.1107/S1600536809017127.
The title heterocyclic compound, C(20)H(27)N(3)O(2)S, was synthesized from 2-(4-methyl-cyclo-hex-3-en-yl)-6-methyl-hepta-2,5-dien-4-one, which was isolated from the essential oil Cedrus atlantica. The thia-diazole ring is essentially planar [maximum deviation 0.006 (2) Å] and it forms a dihedral angle of 18.08 (9)° with the benzene ring. The dihedral angle between the thia-diazole ring and the acetamide plane is 7.62 (10)°. In the crystal, mol-ecules are linked into chains running along the c axis by inter-molecular N-H⋯O hydrogen bonds.
3. Dimethyl 2-(3-chloro-phen-yl)-6-hy-droxy-6-methyl-4-(methyl-amino)-cyclo-hex-3-ene-1,3-dicarboxyl-ate
S Amirthaganesan, S Sundaramoorthy, D Velmurugan, Y T Jeong Acta Crystallogr Sect E Struct Rep Online . 2011 Jun 1;67(Pt 6):o1424. doi: 10.1107/S1600536811017089.
In the title compound, C(18)H(22)ClNO(5), the cyclo-hexene ring adopts a distorted half-chair conformation. The mol-ecular structure is stabilized by pairs of intra-molecular N-H⋯O and O-H⋯O inter-actions, generating S(6) motifs. In the crystal, the mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming centrosymmetric dimers.
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