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MR 409

CAT: 0931-T78023-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T78023-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1445155-39-4
Target
GHSR
Related Pathways
GPCR/G Protein
Bioactivity
MR 409, a selective growth hormone-releasing hormone (GHRH) agonist, exhibits notable neuroprotective properties by augmenting endogenous neurogenesis in cerebral ischemic mice and demonstrates the ability to inhibit in vivo lung cancer growth [1] [2] [3] [4].
Smiles
[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](CC2=CC=C(O)C=C2)NC)=O)C)=O)CC(O)=O)=O)C)=O)[C@H](CC)C)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(NC)=O)=O)CC(O)=O)=O)CCCC)=O)[C@H](CC)C)=O)CC(O)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CC(C)C)=O)CCCN)=O)CCCNC(=N)N)=O)C)=O)CO)=O)CC(C)C)=O)CCC(N)=O)=O)CC)=O)CC(C)C)=O)[C@H](C)C)=O)CCCN)=O)CCCNC(=N)N)=O)=O)CO)=O)CC(N)=O)=O)[C@@H](C)O)=O
Molecular Formula
C153H252N44O43
Molecular Weight
3395.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Me-Tyr-D-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Orn-Val-Leu-Abu-Gln-Leu-Ser-Ala-Arg-Orn-Leu-Leu-Gln-Asp-Ile-Nle-Asp-Arg-NHMe
CAS Number1445155-39-4
PubChem CID171361077
IUPAC Name(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-(methylamino)-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC153H252N44O43
Molecular Weight3395.9
XLogP-12.3
Topological Polar Surface Area1440
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count49
Rotatable Bond Count119
Heavy Atom Count240
Formal Charge0
Complexity7820
SMILES
CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC
InChI
InChI=1S/C153H252N44O43/c1-23-27-38-92(129(219)187-108(70-116(208)209)142(232)175-91(125(215)166-22)41-33-58-167-151(159)160)181-148(238)120(80(16)25-3)196-144(234)109(71-117(210)211)188-132(222)98(53-55-113(157)204)180-137(227)100(61-74(5)6)185-138(228)101(62-75(7)8)183-130(220)93(39-31-56-154)176-127(217)95(42-34-59-168-152(161)162)174-122(212)81(17)172-145(235)110(72-198)192-139(229)102(63-76(9)10)184-131(221)97(52-54-112(156)203)179-126(216)90(26-4)173-136(226)103(64-77(11)12)189-147(237)118(78(13)14)194-133(223)94(40-32-57-155)177-128(218)96(43-35-60-169-153(163)164)178-140(230)104(67-87-46-50-89(202)51-47-87)186-146(236)111(73-199)193-141(231)106(68-114(158)205)191-150(240)121(84(20)200)197-143(233)105(66-85-36-29-28-30-37-85)190-149(239)119(79(15)24-2)195-124(214)83(19)171-135(225)107(69-115(206)207)182-123(213)82(18)170-134(224)99(165-21)65-86-44-48-88(201)49-45-86/h28-30,36-37,44-51,74-84,90-111,118-121,165,198-202H,23-27,31-35,38-43,52-73,154-155H2,1-22H3,(H2,156,203)(H2,157,204)(H2,158,205)(H,166,215)(H,170,224)(H,171,225)(H,172,235)(H,173,226)(H,174,212)(H,175,232)(H,176,217)(H,177,218)(H,178,230)(H,179,216)(H,180,227)(H,181,238)(H,182,213)(H,183,220)(H,184,221)(H,185,228)(H,186,236)(H,187,219)(H,188,222)(H,189,237)(H,190,239)(H,191,240)(H,192,229)(H,193,231)(H,194,223)(H,195,214)(H,196,234)(H,197,233)(H,206,207)(H,208,209)(H,210,211)(H4,159,160,167)(H4,161,162,168)(H4,163,164,169)/t79-,80-,81-,82+,83-,84+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,118-,119-,120-,121-/m0/s1
InChIKey
JXOVGPGYDSUMMZ-OXEXIPAFSA-N
Chemical Structure
2D Structure
2D structure of Me-Tyr-D-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Orn-Val-Leu-Abu-Gln-Leu-Ser-Ala-Arg-Orn-Leu-Leu-Gln-Asp-Ile-Nle-Asp-Arg-NHMe
CAS: 1445155-39-4
CID: 171361077
Formula: C153H252N44O43
MW: 3395.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3395.9
XLogP3-12.3
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count49
Rotatable Bond Count119
Exact Mass3394.8918477
Monoisotopic Mass3393.8884929
Topological Polar Surface Area1440 Ų
Heavy Atom Count240
Formal Charge0
Complexity7820
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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