Mipsagargin

CAT: 0931-T8683-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T8683-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1245732-48-2

Target

PSMA, Drug-Linker Conjugates for ADC, Calcium Channel

Related Pathways

Immunology/Inflammation, Metabolism, Membrane transporter/Ion channel, Antibody-drug Conjugate/ADC Related

Bioactivity

Mipsagargin (G-202) is a novel antibiotic that inhibits DNA biosynthesis.

Smiles

CC1=C2[C@]([C@H](OC(CCCCCCC)=O)[C@H]1OC(/C(=C\C)/C)=O)([C@](OC(C)=O)(C)C[C@H](OC(CCCCCCCCCCCNC(C[C@@H](C(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)N)=O)=O)[C@@]3(O)[C@]2(OC(=O)[C@@]3(C)O)[H])[H]

Molecular Formula

C66H100N6O27

Molecular Weight

1409.52

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mipsagargin

Mipsagargin has been used in trials studying the treatment of Prostate Cancer, Prostatic Neoplasms, Advanced Solid Tumors, Glioblastoma Multiforme, and Hepatocellular Carcinoma, among others.

CAS Number	1245732-48-2
PubChem CID	24772106
IUPAC Name	(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-4-[[12-[[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Molecular Formula	C66H100N6O27
Molecular Weight	1409.5
XLogP	-0.4
Topological Polar Surface Area	530
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	50
Heavy Atom Count	99
Formal Charge	0
Complexity	2990

SMILES

CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)N)([C@](C(=O)O3)(C)O)O

InChI

InChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1

InChIKey

UPYNTAIBQVNPIH-ODMLWHIESA-N

Chemical Structure

2D Structure

CAS: 1245732-48-2

CID: 24772106

Formula: C66H100N6O27

MW: 1409.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1409.5
XLogP3	-0.4
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	50
Exact Mass	1408.66364194
Monoisotopic Mass	1408.66364194
Topological Polar Surface Area	530 Å²
Heavy Atom Count	99
Formal Charge	0
Complexity	2990
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-16215	Mipsagargin
GTR19242214-01	Mipsagargin trifluoroacetate

Mipsagargin

Chemical Information

Alternative Products

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