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Antagonist G

CAT: 0804-HY-P1185-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1185-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antagonist G is a potent vasopressin antagonist. Antagonist G is also a weak antagonist of GRP and Bradykinin. Antagonist G induces AP-1 transcription and sensitizes cells to chemotherapy[1][2].
CAS Number
115150-59-9
UNSPSC
12352209
Target
Apoptosis; Vasopressin Receptor
Type
Peptides
Related Pathways
Apoptosis; GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/antagonist-g.html
Purity
99.05
Solubility
H2O : 50 mg/mL (ultrasonic)
Smiles
CSCC[C@@H](C(N)=O)NC([C@H](CC(C)C)NC([C@@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC3=CC=CC=C3)N(C([C@@H](CC4=CNC5=C4C=CC=C5)NC([C@H](CCCNC(N)=N)N)=O)=O)C)=O)=O)=O
Molecular Formula
C49H66N12O6S
Molecular Weight
951.19
References & Citations
[1]P J Woll, et al. A neuropeptide antagonist that inhibits the growth of small cell lung cancer in vitro. Cancer Res. 1990 Jul 1;50 (13) :3968-73.|[2]A C MacKinnon, et al. [Arg6, D-Trp7,9, NmePhe8]-substance P (6–11) (antagonist G) inducesP-1 transcription and sensitizes cells to chemotherapy. Br J Cancer. 2000 Oct; 83 (7) : 941–948.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Antagonist G
CAS Number115150-59-9
PubChem CID163960
IUPAC Name(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
Molecular FormulaC49H66N12O6S
Molecular Weight951.2
XLogP3.3
Topological Polar Surface Area327
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count9
Rotatable Bond Count26
Heavy Atom Count68
Formal Charge0
Complexity1700
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C49H66N12O6S/c1-29(2)23-39(45(64)57-38(43(51)62)20-22-68-4)58-46(65)40(25-31-27-55-36-18-10-8-15-33(31)36)59-47(66)42(24-30-13-6-5-7-14-30)61(3)48(67)41(26-32-28-56-37-19-11-9-16-34(32)37)60-44(63)35(50)17-12-21-54-49(52)53/h5-11,13-16,18-19,27-29,35,38-42,55-56H,12,17,20-26,50H2,1-4H3,(H2,51,62)(H,57,64)(H,58,65)(H,59,66)(H,60,63)(H4,52,53,54)/t35-,38-,39-,40+,41+,42-/m0/s1
InChIKey
CUCSSYAUKKIDJV-FAXBSAIASA-N
Chemical Structure
2D Structure
2D structure of Antagonist G
CAS: 115150-59-9
CID: 163960
Formula: C49H66N12O6S
MW: 951.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight951.2
XLogP33.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count9
Rotatable Bond Count26
Exact Mass950.49489905
Monoisotopic Mass950.49489905
Topological Polar Surface Area327 Ų
Heavy Atom Count68
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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