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P-Aminophenylacetyl-tuftsin

CAT: 0804-HY-P3714Size: 1 EachDry Ice: NoHazardous: No
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Description
P-Aminophenylacetyl-tuftsin is an active synthetic petide. p-Aminophenylacetyl-tuftsin can be used for the research of various diseases[1].
CAS Number
63147-94-4
UNSPSC
12352209
Target
Others
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/p-aminophenylacetyl-tuftsin.html
Solubility
10 mM in DMSO
Smiles
NC(C=C1)=CC=C1CC(N[C@@H]([C@H](O)C)C(N[C@@H](CCCCN)C(N2[C@@H](CCC2)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O
Molecular Formula
C29H47N9O7
Molecular Weight
633.74
References & Citations
[1]M Fridkin, et al. Tuftsin and some analogs: synthesis and interaction with human polymorphonuclear leukocytes. Biochim Biophys Acta. 1977 Jan 24;496 (1) :203-11.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

2-[[1-[6-Amino-2-[[2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CAS Number63147-94-4
PubChem CID4085765
IUPAC Name2-[[1-[6-amino-2-[[2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC29H47N9O7
Molecular Weight633.7
XLogP-4.3
Topological Polar Surface Area282
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Heavy Atom Count45
Formal Charge0
Complexity1030
SMILES
CC(C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CC2=CC=C(C=C2)N)O
InChI
InChI=1S/C29H47N9O7/c1-17(39)24(37-23(40)16-18-9-11-19(31)12-10-18)26(42)35-20(6-2-3-13-30)27(43)38-15-5-8-22(38)25(41)36-21(28(44)45)7-4-14-34-29(32)33/h9-12,17,20-22,24,39H,2-8,13-16,30-31H2,1H3,(H,35,42)(H,36,41)(H,37,40)(H,44,45)(H4,32,33,34)
InChIKey
LWGJHKZQCNVQPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[1-[6-Amino-2-[[2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CAS: 63147-94-4
CID: 4085765
Formula: C29H47N9O7
MW: 633.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight633.7
XLogP3-4.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Exact Mass633.35984487
Monoisotopic Mass633.35984487
Topological Polar Surface Area282 Ų
Heavy Atom Count45
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes