Products for Research Use Only
RegisterLogin

AMY-101 TFA

CAT: 0931-TP2139L-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TP2139L-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1789738-04-0
Target
MMP, SARS-CoV, Complement System
Related Pathways
Microbiology/Virology, Immunology/Inflammation, Proteases/Proteasome
Bioactivity
AMY-101 TFA is a cyclic peptide that acts as an inhibitor of complement C3 and an immunomodulator, used for the treatment of gingivitis and periodontitis. It significantly reduces inflammation and lowers levels of MMP-8 and MMP-9. AMY-101 TFA also has a mitigating effect on lung inflammation/damage in patients with COVID-19-induced ARDS and acute kidney injury associated with SARS-CoV-2.
Smiles
C(C(O)=O)(F)(F)F.C(C=1C=2C(N(C)C1)=CC=CC2)[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC=4C=5C(NC4)=CC=CC5)C(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC6=CN=CN6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N([C@@H]([C@H](CC)C)C(N)=O)C)=O)CSSC[C@H](NC([C@@H](NC([C@@H](CC7=CC=C(O)C=C7)N)=O)[C@H](CC)C)=O)C(=O)N[C@@H]([C@@H](C)C)C(=O)N3
Molecular Formula
C85H118F3N23O20S2
Molecular Weight
1903.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amy-101 tfa
CAS Number1789738-04-0
PubChem CID155893506
IUPAC Name2-[34-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-[(1-amino-3-methyl-1-oxopentan-2-yl)-methylcarbamoyl]-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10-(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-13,17-dimethyl-28-[(1-methylindol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-31-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC85H118F3N23O20S2
Molecular Weight1903.1
Topological Polar Surface Area730
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count28
Rotatable Bond Count30
Heavy Atom Count133
Formal Charge0
Complexity3860
SMILES
CCC(C)C(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC2=CN(C3=CC=CC=C32)C)CCC(=O)N)CC(=O)O)CC4=CNC5=CC=CC=C54)C)C)CC6=CN=CN6)CCCNC(=N)N)C(=O)N(C)C(C(C)CC)C(=O)N)NC(=O)C(CC7=CC=C(C=C7)O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C83H117N23O18S2.C2HF3O2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63;3-2(4,5)1(6)7/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90);(H,6,7)
InChIKey
GDSMXERXVAAZHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amy-101 tfa
CAS: 1789738-04-0
CID: 155893506
Formula: C85H118F3N23O20S2
MW: 1903.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1903.1
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count28
Rotatable Bond Count30
Exact Mass1901.83170008
Monoisotopic Mass1901.83170008
Topological Polar Surface Area730 Ų
Heavy Atom Count133
Formal Charge0
Complexity3860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
TP2139-01AMY-101
T64692-01AMY-101 acetate
T75895-01UFP-101 TFA
T16404-01ORIC-101
T67948-01OY-101
T212391-01VNT-101
T87673-01ZJ-101
TP2105UFP-101
T27100-01CUMI-101
T39347-01RG-101

Alternative Products

CatalogName
GTR19036823-01AMY-101
PWC73804-01AMY-101 (TFA)
GTR19036822-01AMY-101 TFA
HY-P1717B-01AMY-101 (acetate)
GTR19113376-01AMY-101 acetate
A22779-1AMY-101 TFA 1mg
A22779-10AMY-101 TFA 10mg
A22779-5AMY-101 TFA 5mg
A22779-2AMY-101 TFA 2mg
305882-01AMY-1

Popular Products